5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide

C140H162ClN17O21S7 — CID 159408749

About 5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide

5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 159408749) has the molecular formula C140H162ClN17O21S7 and a molecular weight of 2678.86 g/mol. Its IUPAC name is 5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
• PubChem CID: 159408749
• Molecular Formula: C140H162ClN17O21S7
• Molecular Weight: 2678.86 g/mol
• Exact Mass: 2675.99
• IUPAC Name: 5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
• SMILES: CC(C)Cn1cc(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc21.CC(C)c1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2n1.CCc1nc(C)c2c(C)c(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)sc2n1.Cc1ccc(C)c2c(C)c(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)oc12.Cc1nn(C)c2nc(C(C)C)cc(C(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)c12.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2cc(Cl)ccc2o1
• InChI: InChI=1S/C25H32N4O3S.C25H30N2O3S.C24H27N3O4S.C23H26N2O4S.C22H26N4O3S2.C21H21ClN2O4S/c1-17(2)22-16-21(24-18(3)27-28(4)25(24)26-22)23(30)13-10-19-8-11-20(12-9-19)33(31,32)29-14-6-5-7-15-29;1-19(2)17-26-18-23(22-7-3-4-8-24(22)26)25(28)14-11-20-9-12-21(13-10-20)31(29,30)27-15-5-6-16-27;1-17(2)23-15-21(20-5-3-4-6-22(20)26-23)24(28)25-16-18-7-9-19(10-8-18)32(29,30)27-11-13-31-14-12-27;1-15-6-7-16(2)21-20(15)17(3)22(29-21)23(26)24-14-18-8-10-19(11-9-18)30(27,28)25-12-4-5-13-25;1-4-18-24-15(3)19-14(2)20(30-22(19)25-18)21(27)23-13-16-7-9-17(10-8-16)31(28,29)26-11-5-6-12-26;22-17-6-9-19-16(12-17)13-20(28-19)21(25)23-14-15-4-7-18(8-5-15)29(26,27)24-10-2-1-3-11-24/h8-9,11-12,16-17H,5-7,10,13-15H2,1-4H3;3-4,7-10,12-13,18-19H,5-6,11,14-17H2,1-2H3;3-10,15,17H,11-14,16H2,1-2H3,(H,25,28);6-11H,4-5,12-14H2,1-3H3,(H,24,26);7-10H,4-6,11-13H2,1-3H3,(H,23,27);4-9,12-13H,1-3,10-11,14H2,(H,23,25)
• InChIKey: LOHNLQPBPAVPDX-UHFFFAOYSA-N
• XLogP: 24.45
• TPSA: 484.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 37
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2678.86
LogP ≤ 5	24.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide (CID 159408749) is 5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide is CC(C)Cn1cc(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc21.CC(C)c1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2n1.CCc1nc(C)c2c(C)c(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)sc2n1.Cc1ccc(C)c2c(C)c(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)oc12.Cc1nn(C)c2nc(C(C)C)cc(C(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)c12.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2cc(Cl)ccc2o1.

What is the InChIKey of 5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide?

The InChIKey is LOHNLQPBPAVPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S.C25H30N2O3S.C24H27N3O4S.C23H26N2O4S.C22H26N4O3S2.C21H21ClN2O4S/c1-17(2)22-16-21(24-18(3)27-28(4)25(24)26-22)23(30)13-10-19-8-11-20(12-9-19)33(31,32)29-14-6-5-7-15-29;1-19(2)17-26-18-23(22-7-3-4-8-24(22)26)25(28)14-11-20-9-12-21(13-10-20)31(29,30)27-15-5-6-16-27;1-17(2)23-15-21(20-5-3-4-6-22(20)26-23)24(28)25-16-18-7-9-19(10-8-18)32(29,30)27-11-13-31-14-12-27;1-15-6-7-16(2)21-20(15)17(3)22(29-21)23(26)24-14-18-8-10-19(11-9-18)30(27,28)25-12-4-5-13-25;1-4-18-24-15(3)19-14(2)20(30-22(19)25-18)21(27)23-13-16-7-9-17(10-8-16)31(28,29)26-11-5-6-12-26;22-17-6-9-19-16(12-17)13-20(28-19)21(25)23-14-15-4-7-18(8-5-15)29(26,27)24-10-2-1-3-11-24/h8-9,11-12,16-17H,5-7,10,13-15H2,1-4H3;3-4,7-10,12-13,18-19H,5-6,11,14-17H2,1-2H3;3-10,15,17H,11-14,16H2,1-2H3,(H,25,28);6-11H,4-5,12-14H2,1-3H3,(H,24,26);7-10H,4-6,11-13H2,1-3H3,(H,23,27);4-9,12-13H,1-3,10-11,14H2,(H,23,25).

What are the key properties of 5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide?

5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 2678.86 g/mol, XLogP of 24.45, 37 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 159408749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).