N-[3-[1-benzofuran-5-ylsulfonyl(imidazo[1,2-a]pyridin-6-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;bis(N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide);N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate

C139H180N16O20S4 — CID 159174129

About N-[3-[1-benzofuran-5-ylsulfonyl(imidazo[1,2-a]pyridin-6-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;bis(N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide);N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate

N-[3-[1-benzofuran-5-ylsulfonyl(imidazo[1,2-a]pyridin-6-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;bis(N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide);N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 159174129) has the molecular formula C139H180N16O20S4 and a molecular weight of 2523.33 g/mol. Its IUPAC name is N-[3-[1-benzofuran-5-ylsulfonyl(imidazo[1,2-a]pyridin-6-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;bis(N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide);N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

• Compound Name: N-[3-[1-benzofuran-5-ylsulfonyl(imidazo[1,2-a]pyridin-6-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;bis(N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide);N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
• PubChem CID: 159174129
• Molecular Formula: C139H180N16O20S4
• Molecular Weight: 2523.33 g/mol
• Exact Mass: 2521.24
• IUPAC Name: N-[3-[1-benzofuran-5-ylsulfonyl(imidazo[1,2-a]pyridin-6-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;bis(N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide);N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
• SMILES: CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N(Cc1ccncc1)Cc1ccc2occc2c1.CC(C)CN(CCCN(Cc1ccc2nccn2c1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(Cc1ccccn1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(Cc1ccccn1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(Cc1cccnc1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C
• InChI: InChI=1S/C29H38N4O4S.C29H31N3O4.3C27H37N3O4S/c1-22(2)19-32(28(34)18-29(3,4)5)13-6-14-33(21-23-7-10-27-30-12-15-31(27)20-23)38(35,36)25-8-9-26-24(17-25)11-16-37-26;1-29(2,3)36-28(34)31-25(18-21-7-5-4-6-8-21)27(33)32(19-22-11-14-30-15-12-22)20-23-9-10-26-24(17-23)13-16-35-26;1-21(2)19-29(26(31)17-27(3,4)5)13-7-14-30(20-22-8-6-12-28-18-22)35(32,33)24-9-10-25-23(16-24)11-15-34-25;2*1-21(2)19-29(26(31)18-27(3,4)5)14-8-15-30(20-23-9-6-7-13-28-23)35(32,33)24-10-11-25-22(17-24)12-16-34-25/h7-12,15-17,20,22H,6,13-14,18-19,21H2,1-5H3;4-17,25H,18-20H2,1-3H3,(H,31,34);6,8-12,15-16,18,21H,7,13-14,17,19-20H2,1-5H3;2*6-7,9-13,16-17,21H,8,14-15,18-20H2,1-5H3/t;25-;;;/m.1.../s1
• InChIKey: KMBIWWUQWXOFBM-QRBMIFAXSA-N
• XLogP: 27.06
• TPSA: 423.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 52
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2523.33
LogP ≤ 5	27.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-benzofuran-5-ylsulfonyl(imidazo[1,2-a]pyridin-6-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;bis(N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide);N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The IUPAC name of N-[3-[1-benzofuran-5-ylsulfonyl(imidazo[1,2-a]pyridin-6-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;bis(N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide);N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 159174129) is N-[3-[1-benzofuran-5-ylsulfonyl(imidazo[1,2-a]pyridin-6-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;bis(N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide);N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

What is the SMILES notation for N-[3-[1-benzofuran-5-ylsulfonyl(imidazo[1,2-a]pyridin-6-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;bis(N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide);N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The canonical SMILES for N-[3-[1-benzofuran-5-ylsulfonyl(imidazo[1,2-a]pyridin-6-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;bis(N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide);N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N(Cc1ccncc1)Cc1ccc2occc2c1.CC(C)CN(CCCN(Cc1ccc2nccn2c1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(Cc1ccccn1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(Cc1ccccn1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(Cc1cccnc1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.

What is the InChIKey of N-[3-[1-benzofuran-5-ylsulfonyl(imidazo[1,2-a]pyridin-6-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;bis(N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide);N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The InChIKey is KMBIWWUQWXOFBM-QRBMIFAXSA-N. The full InChI is InChI=1S/C29H38N4O4S.C29H31N3O4.3C27H37N3O4S/c1-22(2)19-32(28(34)18-29(3,4)5)13-6-14-33(21-23-7-10-27-30-12-15-31(27)20-23)38(35,36)25-8-9-26-24(17-25)11-16-37-26;1-29(2,3)36-28(34)31-25(18-21-7-5-4-6-8-21)27(33)32(19-22-11-14-30-15-12-22)20-23-9-10-26-24(17-23)13-16-35-26;1-21(2)19-29(26(31)17-27(3,4)5)13-7-14-30(20-22-8-6-12-28-18-22)35(32,33)24-9-10-25-23(16-24)11-15-34-25;2*1-21(2)19-29(26(31)18-27(3,4)5)14-8-15-30(20-23-9-6-7-13-28-23)35(32,33)24-10-11-25-22(17-24)12-16-34-25/h7-12,15-17,20,22H,6,13-14,18-19,21H2,1-5H3;4-17,25H,18-20H2,1-3H3,(H,31,34);6,8-12,15-16,18,21H,7,13-14,17,19-20H2,1-5H3;2*6-7,9-13,16-17,21H,8,14-15,18-20H2,1-5H3/t;25-;;;/m.1.../s1.

What are the key properties of N-[3-[1-benzofuran-5-ylsulfonyl(imidazo[1,2-a]pyridin-6-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;bis(N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide);N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

N-[3-[1-benzofuran-5-ylsulfonyl(imidazo[1,2-a]pyridin-6-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;bis(N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide);N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 2523.33 g/mol, XLogP of 27.06, 52 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-benzofuran-5-ylsulfonyl(imidazo[1,2-a]pyridin-6-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;bis(N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide);N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 159174129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).