N-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide

C110H128N16O20S5 — CID 167689359

IUPACN-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC1(C)Cc2cccc(OCC(=O)Nc3nc(C(=O)NCC4CCCC4)cs3)c2O1.CC1(C)Cc2cccc(OCC(=O)Nc3nc(C(=O)NCc4ccco4)cs3)c2O1.CN1CCC(CNC(=O)c2cnc(NC(=O)COc3cccc4c3OC(C)(C)C4)s2)C1.CN1CCC(CNC(=O)c2csc(NC(=O)COc3cccc4c3OC(C)(C)C4)n2)C1.Cc1csc(N(Cc2ccccc2)C(=O)COc2cccc3c2OC(C)(C)C3)n1
InChIInChI=1S/C23H24N2O3S.2C22H28N4O4S.C22H27N3O4S.C21H21N3O5S/c1-16-15-29-22(24-16)25(13-17-8-5-4-6-9-17)20(26)14-27-19-11-7-10-18-12-23(2,3)28-21(18)19;1-22(2)9-15-5-4-6-16(19(15)30-22)29-13-18(27)25-21-24-11-17(31-21)20(28)23-10-14-7-8-26(3)12-14;1-22(2)9-15-5-4-6-17(19(15)30-22)29-12-18(27)25-21-24-16(13-31-21)20(28)23-10-14-7-8-26(3)11-14;1-22(2)10-15-8-5-9-17(19(15)29-22)28-12-18(26)25-21-24-16(13-30-21)20(27)23-11-14-6-3-4-7-14;1-21(2)9-13-5-3-7-16(18(13)29-21)28-11-17(25)24-20-23-15(12-30-20)19(26)22-10-14-6-4-8-27-14/h4-11,15H,12-14H2,1-3H3;4-6,11,14H,7-10,12-13H2,1-3H3,(H,23,28)(H,24,25,27);4-6,13-14H,7-12H2,1-3H3,(H,23,28)(H,24,25,27);5,8-9,13-14H,3-4,6-7,10-12H2,1-2H3,(H,23,27)(H,24,25,26);3-8,12H,9-11H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyWRTVGQYTUGYISK-UHFFFAOYSA-N
MW2154.66 g/mol
LogP17.08
Rot. Bonds34

About N-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide

N-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 167689359) has the molecular formula C110H128N16O20S5 and a molecular weight of 2154.66 g/mol. Its IUPAC name is N-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID167689359
Molecular FormulaC110H128N16O20S5
Molecular Weight2154.66 g/mol
Exact Mass2152.81
IUPAC NameN-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC1(C)Cc2cccc(OCC(=O)Nc3nc(C(=O)NCC4CCCC4)cs3)c2O1.CC1(C)Cc2cccc(OCC(=O)Nc3nc(C(=O)NCc4ccco4)cs3)c2O1.CN1CCC(CNC(=O)c2cnc(NC(=O)COc3cccc4c3OC(C)(C)C4)s2)C1.CN1CCC(CNC(=O)c2csc(NC(=O)COc3cccc4c3OC(C)(C)C4)n2)C1.Cc1csc(N(Cc2ccccc2)C(=O)COc2cccc3c2OC(C)(C)C3)n1
InChIInChI=1S/C23H24N2O3S.2C22H28N4O4S.C22H27N3O4S.C21H21N3O5S/c1-16-15-29-22(24-16)25(13-17-8-5-4-6-9-17)20(26)14-27-19-11-7-10-18-12-23(2,3)28-21(18)19;1-22(2)9-15-5-4-6-16(19(15)30-22)29-13-18(27)25-21-24-11-17(31-21)20(28)23-10-14-7-8-26(3)12-14;1-22(2)9-15-5-4-6-17(19(15)30-22)29-12-18(27)25-21-24-16(13-31-21)20(28)23-10-14-7-8-26(3)11-14;1-22(2)10-15-8-5-9-17(19(15)29-22)28-12-18(26)25-21-24-16(13-30-21)20(27)23-11-14-6-3-4-7-14;1-21(2)9-13-5-3-7-16(18(13)29-21)28-11-17(25)24-20-23-15(12-30-20)19(26)22-10-14-6-4-8-27-14/h4-11,15H,12-14H2,1-3H3;4-6,11,14H,7-10,12-13H2,1-3H3,(H,23,28)(H,24,25,27);4-6,13-14H,7-12H2,1-3H3,(H,23,28)(H,24,25,27);5,8-9,13-14H,3-4,6-7,10-12H2,1-2H3,(H,23,27)(H,24,25,26);3-8,12H,9-11H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyWRTVGQYTUGYISK-UHFFFAOYSA-N
XLogP17.08
TPSA429.48 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds34
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002154.66
LogP ≤ 517.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze N-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide (CID 167689359) is N-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide is CC1(C)Cc2cccc(OCC(=O)Nc3nc(C(=O)NCC4CCCC4)cs3)c2O1.CC1(C)Cc2cccc(OCC(=O)Nc3nc(C(=O)NCc4ccco4)cs3)c2O1.CN1CCC(CNC(=O)c2cnc(NC(=O)COc3cccc4c3OC(C)(C)C4)s2)C1.CN1CCC(CNC(=O)c2csc(NC(=O)COc3cccc4c3OC(C)(C)C4)n2)C1.Cc1csc(N(Cc2ccccc2)C(=O)COc2cccc3c2OC(C)(C)C3)n1.
What is the InChIKey of N-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WRTVGQYTUGYISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S.2C22H28N4O4S.C22H27N3O4S.C21H21N3O5S/c1-16-15-29-22(24-16)25(13-17-8-5-4-6-9-17)20(26)14-27-19-11-7-10-18-12-23(2,3)28-21(18)19;1-22(2)9-15-5-4-6-16(19(15)30-22)29-13-18(27)25-21-24-11-17(31-21)20(28)23-10-14-7-8-26(3)12-14;1-22(2)9-15-5-4-6-17(19(15)30-22)29-12-18(27)25-21-24-16(13-31-21)20(28)23-10-14-7-8-26(3)11-14;1-22(2)10-15-8-5-9-17(19(15)29-22)28-12-18(26)25-21-24-16(13-30-21)20(27)23-11-14-6-3-4-7-14;1-21(2)9-13-5-3-7-16(18(13)29-21)28-11-17(25)24-20-23-15(12-30-20)19(26)22-10-14-6-4-8-27-14/h4-11,15H,12-14H2,1-3H3;4-6,11,14H,7-10,12-13H2,1-3H3,(H,23,28)(H,24,25,27);4-6,13-14H,7-12H2,1-3H3,(H,23,28)(H,24,25,27);5,8-9,13-14H,3-4,6-7,10-12H2,1-2H3,(H,23,27)(H,24,25,26);3-8,12H,9-11H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide?
N-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 2154.66 g/mol, XLogP of 17.08, 34 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;N-(cyclopentylmethyl)-2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167689359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).