N-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide

C135H170N18O18P6S5 — CID 165031816

IUPACN-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)Nc1ccc(-c2cc3c(c(P(C)(C)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)c(C)n1.CC(=O)Nc1nc(C)c(-c2cc3c(c(P(C)(C)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1.CCC(=O)Nc1nc(C)c(-c2cc3c(c(P(C)(C)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1.CCP(=O)(CC)c1cc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.Cc1nc(NC(=O)C(C)C)sc1-c1cc2c(c(P(C)(C)=O)c1)C(=O)N([C@@H](C)C1CC1)C2.Cc1nc(NC(=O)C2CC2)sc1-c1cc2c(c(P(C)(C)=O)c1)C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C23H28N3O3PS.2C23H30N3O3PS.C23H28N3O3P.C22H28N3O3PS.C21H26N3O3PS/c1-12-20(31-23(24-12)25-21(27)15-7-8-15)16-9-17-11-26(13(2)14-5-6-14)22(28)19(17)18(10-16)30(3,4)29;1-12(2)21(27)25-23-24-13(3)20(31-23)16-9-17-11-26(14(4)15-7-8-15)22(28)19(17)18(10-16)30(5,6)29;1-6-30(29,7-2)19-11-17(21-13(3)24-23(31-21)25-15(5)27)10-18-12-26(22(28)20(18)19)14(4)16-8-9-16;1-13-19(8-9-21(24-13)25-15(3)27)17-10-18-12-26(14(2)16-6-7-16)23(28)22(18)20(11-17)30(4,5)29;1-6-18(26)24-22-23-12(2)20(30-22)15-9-16-11-25(13(3)14-7-8-14)21(27)19(16)17(10-15)29(4,5)28;1-11-19(29-21(22-11)23-13(3)25)15-8-16-10-24(12(2)14-6-7-14)20(26)18(16)17(9-15)28(4,5)27/h9-10,13-15H,5-8,11H2,1-4H3,(H,24,25,27);9-10,12,14-15H,7-8,11H2,1-6H3,(H,24,25,27);10-11,14,16H,6-9,12H2,1-5H3,(H,24,25,27);8-11,14,16H,6-7,12H2,1-5H3,(H,24,25,27);9-10,13-14H,6-8,11H2,1-5H3,(H,23,24,26);8-9,12,14H,6-7,10H2,1-5H3,(H,22,23,25)/t13-;3*14-;13-;12-/m000000/s1
InChIKeyMTSSIYKTWWOJHA-HMALJZCJSA-N
MW2679.13 g/mol
LogP26.61
Rot. Bonds35

About N-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide

N-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide (PubChem CID 165031816) has the molecular formula C135H170N18O18P6S5 and a molecular weight of 2679.13 g/mol. Its IUPAC name is N-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
PubChem CID165031816
Molecular FormulaC135H170N18O18P6S5
Molecular Weight2679.13 g/mol
Exact Mass2677.00
IUPAC NameN-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)Nc1ccc(-c2cc3c(c(P(C)(C)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)c(C)n1.CC(=O)Nc1nc(C)c(-c2cc3c(c(P(C)(C)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1.CCC(=O)Nc1nc(C)c(-c2cc3c(c(P(C)(C)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1.CCP(=O)(CC)c1cc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.Cc1nc(NC(=O)C(C)C)sc1-c1cc2c(c(P(C)(C)=O)c1)C(=O)N([C@@H](C)C1CC1)C2.Cc1nc(NC(=O)C2CC2)sc1-c1cc2c(c(P(C)(C)=O)c1)C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C23H28N3O3PS.2C23H30N3O3PS.C23H28N3O3P.C22H28N3O3PS.C21H26N3O3PS/c1-12-20(31-23(24-12)25-21(27)15-7-8-15)16-9-17-11-26(13(2)14-5-6-14)22(28)19(17)18(10-16)30(3,4)29;1-12(2)21(27)25-23-24-13(3)20(31-23)16-9-17-11-26(14(4)15-7-8-15)22(28)19(17)18(10-16)30(5,6)29;1-6-30(29,7-2)19-11-17(21-13(3)24-23(31-21)25-15(5)27)10-18-12-26(22(28)20(18)19)14(4)16-8-9-16;1-13-19(8-9-21(24-13)25-15(3)27)17-10-18-12-26(14(2)16-6-7-16)23(28)22(18)20(11-17)30(4,5)29;1-6-18(26)24-22-23-12(2)20(30-22)15-9-16-11-25(13(3)14-7-8-14)21(27)19(16)17(10-15)29(4,5)28;1-11-19(29-21(22-11)23-13(3)25)15-8-16-10-24(12(2)14-6-7-14)20(26)18(16)17(9-15)28(4,5)27/h9-10,13-15H,5-8,11H2,1-4H3,(H,24,25,27);9-10,12,14-15H,7-8,11H2,1-6H3,(H,24,25,27);10-11,14,16H,6-9,12H2,1-5H3,(H,24,25,27);8-11,14,16H,6-7,12H2,1-5H3,(H,24,25,27);9-10,13-14H,6-8,11H2,1-5H3,(H,23,24,26);8-9,12,14H,6-7,10H2,1-5H3,(H,22,23,25)/t13-;3*14-;13-;12-/m000000/s1
InChIKeyMTSSIYKTWWOJHA-HMALJZCJSA-N
XLogP26.61
TPSA476.22 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds35
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002679.13
LogP ≤ 526.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-5-[4-methyl-2-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-3H-isoindol-1-one
CID 163415200
N-[5-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfanyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 164953531
N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinimidoyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinimidoyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 164986489
N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-ethylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfonimidoyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-[(R)-propan-2-ylsulfinyl]-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-[(S)-propan-2-ylsulfinyl]-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 165033213
bis(N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(S)-methylsulfinimidoyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide);N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinimidoyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 165043527
N-[5-[2-tert-butyl-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-tert-butyl-7-[(S)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3S)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[(3R)-2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-3-methyl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(R)-methylsulfinyl]-1-oxo-3H-isoindol-5-yl]-4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfonimidoyl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 165070667

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide (CID 165031816) is N-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide is CC(=O)Nc1ccc(-c2cc3c(c(P(C)(C)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)c(C)n1.CC(=O)Nc1nc(C)c(-c2cc3c(c(P(C)(C)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1.CCC(=O)Nc1nc(C)c(-c2cc3c(c(P(C)(C)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1.CCP(=O)(CC)c1cc(-c2sc(NC(C)=O)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2.Cc1nc(NC(=O)C(C)C)sc1-c1cc2c(c(P(C)(C)=O)c1)C(=O)N([C@@H](C)C1CC1)C2.Cc1nc(NC(=O)C2CC2)sc1-c1cc2c(c(P(C)(C)=O)c1)C(=O)N([C@@H](C)C1CC1)C2.
What is the InChIKey of N-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is MTSSIYKTWWOJHA-HMALJZCJSA-N. The full InChI is InChI=1S/C23H28N3O3PS.2C23H30N3O3PS.C23H28N3O3P.C22H28N3O3PS.C21H26N3O3PS/c1-12-20(31-23(24-12)25-21(27)15-7-8-15)16-9-17-11-26(13(2)14-5-6-14)22(28)19(17)18(10-16)30(3,4)29;1-12(2)21(27)25-23-24-13(3)20(31-23)16-9-17-11-26(14(4)15-7-8-15)22(28)19(17)18(10-16)30(5,6)29;1-6-30(29,7-2)19-11-17(21-13(3)24-23(31-21)25-15(5)27)10-18-12-26(22(28)20(18)19)14(4)16-8-9-16;1-13-19(8-9-21(24-13)25-15(3)27)17-10-18-12-26(14(2)16-6-7-16)23(28)22(18)20(11-17)30(4,5)29;1-6-18(26)24-22-23-12(2)20(30-22)15-9-16-11-25(13(3)14-7-8-14)21(27)19(16)17(10-15)29(4,5)28;1-11-19(29-21(22-11)23-13(3)25)15-8-16-10-24(12(2)14-6-7-14)20(26)18(16)17(9-15)28(4,5)27/h9-10,13-15H,5-8,11H2,1-4H3,(H,24,25,27);9-10,12,14-15H,7-8,11H2,1-6H3,(H,24,25,27);10-11,14,16H,6-9,12H2,1-5H3,(H,24,25,27);8-11,14,16H,6-7,12H2,1-5H3,(H,24,25,27);9-10,13-14H,6-8,11H2,1-5H3,(H,23,24,26);8-9,12,14H,6-7,10H2,1-5H3,(H,22,23,25)/t13-;3*14-;13-;12-/m000000/s1.
What are the key properties of N-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
N-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 2679.13 g/mol, XLogP of 26.61, 35 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(1S)-1-cyclopropylethyl]-7-diethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-6-methyl-2-pyridinyl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide;N-[5-[2-[(1S)-1-cyclopropylethyl]-7-dimethylphosphoryl-1-oxo-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 165031816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).