N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide

C146H187F5N20O18S3 — CID 159655767

IUPACN-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide
SMILESCC(C)CCS(=O)(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)CC(C)c1nc2ccccc2[nH]1.CC(C)CCS(=O)(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)C[C@@H](C)c1nc2ccccc2[nH]1.CC(C)CCS(=O)(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)C[C@H](C)c1nc2ccccc2[nH]1.C[C@H](CC(=O)[C@H](CC(=O)N1CCCC1C1CC1)NC(=O)C1CC2(C1)CC(F)(F)C2)c1nc2c(F)cccc2[nH]1.Cc1cccc2c1CC(C1(NC(=O)[C@@H](CC(=O)N3CCCC[C@H]3C)NC(=O)C3CC4(C3)CC(F)(F)C4)CC1)=N2
InChIInChI=1S/C30H38F2N4O3.C29H35F3N4O3.3C29H38N4O4S/c1-18-6-5-8-22-21(18)12-24(33-22)29(9-10-29)35-27(39)23(13-25(37)36-11-4-3-7-19(36)2)34-26(38)20-14-28(15-20)16-30(31,32)17-28;1-16(26-33-20-5-2-4-19(30)25(20)35-26)10-23(37)21(11-24(38)36-9-3-6-22(36)17-7-8-17)34-27(39)18-12-28(13-18)14-29(31,32)15-28;3*1-20(2)15-17-38(36,37)32-25(19-28(35)33-16-9-14-26(33)22-10-5-4-6-11-22)27(34)18-21(3)29-30-23-12-7-8-13-24(23)31-29/h5-6,8,19-20,23H,3-4,7,9-17H2,1-2H3,(H,34,38)(H,35,39);2,4-5,16-18,21-22H,3,6-15H2,1H3,(H,33,35)(H,34,39);3*4-8,10-13,20-21,25-26,32H,9,14-19H2,1-3H3,(H,30,31)/t19-,23-;16-,21+,22?;21?,25-,26+;21-,25+,26-;21-,25-,26+/m11010/s1
InChIKeyMSDPAFCMXNWVJP-UMQHFXJSSA-N
MW2701.41 g/mol
LogP23.38
Rot. Bonds52

About N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide

N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide (PubChem CID 159655767) has the molecular formula C146H187F5N20O18S3 and a molecular weight of 2701.41 g/mol. Its IUPAC name is N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound NameN-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide
PubChem CID159655767
Molecular FormulaC146H187F5N20O18S3
Molecular Weight2701.41 g/mol
Exact Mass2699.34
IUPAC NameN-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide
SMILESCC(C)CCS(=O)(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)CC(C)c1nc2ccccc2[nH]1.CC(C)CCS(=O)(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)C[C@@H](C)c1nc2ccccc2[nH]1.CC(C)CCS(=O)(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)C[C@H](C)c1nc2ccccc2[nH]1.C[C@H](CC(=O)[C@H](CC(=O)N1CCCC1C1CC1)NC(=O)C1CC2(C1)CC(F)(F)C2)c1nc2c(F)cccc2[nH]1.Cc1cccc2c1CC(C1(NC(=O)[C@@H](CC(=O)N3CCCC[C@H]3C)NC(=O)C3CC4(C3)CC(F)(F)C4)CC1)=N2
InChIInChI=1S/C30H38F2N4O3.C29H35F3N4O3.3C29H38N4O4S/c1-18-6-5-8-22-21(18)12-24(33-22)29(9-10-29)35-27(39)23(13-25(37)36-11-4-3-7-19(36)2)34-26(38)20-14-28(15-20)16-30(31,32)17-28;1-16(26-33-20-5-2-4-19(30)25(20)35-26)10-23(37)21(11-24(38)36-9-3-6-22(36)17-7-8-17)34-27(39)18-12-28(13-18)14-29(31,32)15-28;3*1-20(2)15-17-38(36,37)32-25(19-28(35)33-16-9-14-26(33)22-10-5-4-6-11-22)27(34)18-21(3)29-30-23-12-7-8-13-24(23)31-29/h5-6,8,19-20,23H,3-4,7,9-17H2,1-2H3,(H,34,38)(H,35,39);2,4-5,16-18,21-22H,3,6-15H2,1H3,(H,33,35)(H,34,39);3*4-8,10-13,20-21,25-26,32H,9,14-19H2,1-3H3,(H,30,31)/t19-,23-;16-,21+,22?;21?,25-,26+;21-,25+,26-;21-,25-,26+/m11010/s1
InChIKeyMSDPAFCMXNWVJP-UMQHFXJSSA-N
XLogP23.38
TPSA522.72 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds52
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002701.41
LogP ≤ 523.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide?
The IUPAC name of N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide (CID 159655767) is N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide?
The canonical SMILES for N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide is CC(C)CCS(=O)(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)CC(C)c1nc2ccccc2[nH]1.CC(C)CCS(=O)(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)C[C@@H](C)c1nc2ccccc2[nH]1.CC(C)CCS(=O)(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C(=O)C[C@H](C)c1nc2ccccc2[nH]1.C[C@H](CC(=O)[C@H](CC(=O)N1CCCC1C1CC1)NC(=O)C1CC2(C1)CC(F)(F)C2)c1nc2c(F)cccc2[nH]1.Cc1cccc2c1CC(C1(NC(=O)[C@@H](CC(=O)N3CCCC[C@H]3C)NC(=O)C3CC4(C3)CC(F)(F)C4)CC1)=N2.
What is the InChIKey of N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide?
The InChIKey is MSDPAFCMXNWVJP-UMQHFXJSSA-N. The full InChI is InChI=1S/C30H38F2N4O3.C29H35F3N4O3.3C29H38N4O4S/c1-18-6-5-8-22-21(18)12-24(33-22)29(9-10-29)35-27(39)23(13-25(37)36-11-4-3-7-19(36)2)34-26(38)20-14-28(15-20)16-30(31,32)17-28;1-16(26-33-20-5-2-4-19(30)25(20)35-26)10-23(37)21(11-24(38)36-9-3-6-22(36)17-7-8-17)34-27(39)18-12-28(13-18)14-29(31,32)15-28;3*1-20(2)15-17-38(36,37)32-25(19-28(35)33-16-9-14-26(33)22-10-5-4-6-11-22)27(34)18-21(3)29-30-23-12-7-8-13-24(23)31-29/h5-6,8,19-20,23H,3-4,7,9-17H2,1-2H3,(H,34,38)(H,35,39);2,4-5,16-18,21-22H,3,6-15H2,1H3,(H,33,35)(H,34,39);3*4-8,10-13,20-21,25-26,32H,9,14-19H2,1-3H3,(H,30,31)/t19-,23-;16-,21+,22?;21?,25-,26+;21-,25+,26-;21-,25-,26+/m11010/s1.
What are the key properties of N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide?
N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide has a molecular weight of 2701.41 g/mol, XLogP of 23.38, 52 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-(2-cyclopropylpyrrolidin-1-yl)-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide;2,2-difluoro-N-[(2R)-1-[[1-(4-methyl-3H-indol-2-yl)cyclopropyl]amino]-4-[(2R)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]spiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 159655767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).