4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl 2,2-dimethylpropanoate;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-2,2-dimethylpropyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-(7,7-dimethyl-5-oxooctyl)-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide

C114H164N14O20S5 — CID 159625106

About 4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl 2,2-dimethylpropanoate;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-2,2-dimethylpropyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-(7,7-dimethyl-5-oxooctyl)-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide

4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl 2,2-dimethylpropanoate;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-2,2-dimethylpropyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-(7,7-dimethyl-5-oxooctyl)-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide (PubChem CID 159625106) has the molecular formula C114H164N14O20S5 and a molecular weight of 2210.98 g/mol. Its IUPAC name is 4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl 2,2-dimethylpropanoate;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-2,2-dimethylpropyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-(7,7-dimethyl-5-oxooctyl)-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide.

Molecular Properties

• Compound Name: 4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl 2,2-dimethylpropanoate;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-2,2-dimethylpropyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-(7,7-dimethyl-5-oxooctyl)-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide
• PubChem CID: 159625106
• Molecular Formula: C114H164N14O20S5
• Molecular Weight: 2210.98 g/mol
• Exact Mass: 2209.08
• IUPAC Name: 4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl 2,2-dimethylpropanoate;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-2,2-dimethylpropyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-(7,7-dimethyl-5-oxooctyl)-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide
• SMILES: CC(C)(C)C(=O)OCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.CC(C)CN(CC(C)(C)CN(CCn1cncn1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCCC(=O)CC(C)(C)C)S(=O)(=O)c1ccc2occc2c1.CC(C)CN(CCCN(CCn1cncn1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CNCC(C)(C)CCS(=O)(=O)c1ccc2occc2c1
• InChI: InChI=1S/C27H41N5O4S.C25H37N5O4S.C22H26N2O5S.C22H33NO4S.C18H27NO3S/c1-21(2)16-30(25(33)15-26(3,4)5)17-27(6,7)18-32(12-11-31-20-28-19-29-31)37(34,35)23-8-9-24-22(14-23)10-13-36-24;1-20(2)17-28(24(31)16-25(3,4)5)10-6-11-30(13-12-29-19-26-18-27-29)35(32,33)22-7-8-23-21(15-22)9-14-34-23;1-22(2,3)21(25)29-13-4-12-24(16-17-7-10-23-11-8-17)30(26,27)19-5-6-20-18(15-19)9-14-28-20;1-17(2)16-23(12-7-6-8-19(24)15-22(3,4)5)28(25,26)20-9-10-21-18(14-20)11-13-27-21;1-14(2)12-19-13-18(3,4)8-10-23(20,21)16-5-6-17-15(11-16)7-9-22-17/h8-10,13-14,19-21H,11-12,15-18H2,1-7H3;7-9,14-15,18-20H,6,10-13,16-17H2,1-5H3;5-11,14-15H,4,12-13,16H2,1-3H3;9-11,13-14,17H,6-8,12,15-16H2,1-5H3;5-7,9,11,14,19H,8,10,12-13H2,1-4H3
• InChIKey: MOJREPNOTNSZJP-UHFFFAOYSA-N
• XLogP: 21.81
• TPSA: 419.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 50
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2210.98
LogP ≤ 5	21.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl 2,2-dimethylpropanoate;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-2,2-dimethylpropyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-(7,7-dimethyl-5-oxooctyl)-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide?

The IUPAC name of 4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl 2,2-dimethylpropanoate;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-2,2-dimethylpropyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-(7,7-dimethyl-5-oxooctyl)-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide (CID 159625106) is 4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl 2,2-dimethylpropanoate;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-2,2-dimethylpropyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-(7,7-dimethyl-5-oxooctyl)-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide.

What is the SMILES notation for 4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl 2,2-dimethylpropanoate;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-2,2-dimethylpropyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-(7,7-dimethyl-5-oxooctyl)-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide?

The canonical SMILES for 4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl 2,2-dimethylpropanoate;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-2,2-dimethylpropyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-(7,7-dimethyl-5-oxooctyl)-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide is CC(C)(C)C(=O)OCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.CC(C)CN(CC(C)(C)CN(CCn1cncn1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCCC(=O)CC(C)(C)C)S(=O)(=O)c1ccc2occc2c1.CC(C)CN(CCCN(CCn1cncn1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CNCC(C)(C)CCS(=O)(=O)c1ccc2occc2c1.

What is the InChIKey of 4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl 2,2-dimethylpropanoate;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-2,2-dimethylpropyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-(7,7-dimethyl-5-oxooctyl)-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide?

The InChIKey is MOJREPNOTNSZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N5O4S.C25H37N5O4S.C22H26N2O5S.C22H33NO4S.C18H27NO3S/c1-21(2)16-30(25(33)15-26(3,4)5)17-27(6,7)18-32(12-11-31-20-28-19-29-31)37(34,35)23-8-9-24-22(14-23)10-13-36-24;1-20(2)17-28(24(31)16-25(3,4)5)10-6-11-30(13-12-29-19-26-18-27-29)35(32,33)22-7-8-23-21(15-22)9-14-34-23;1-22(2,3)21(25)29-13-4-12-24(16-17-7-10-23-11-8-17)30(26,27)19-5-6-20-18(15-19)9-14-28-20;1-17(2)16-23(12-7-6-8-19(24)15-22(3,4)5)28(25,26)20-9-10-21-18(14-20)11-13-27-21;1-14(2)12-19-13-18(3,4)8-10-23(20,21)16-5-6-17-15(11-16)7-9-22-17/h8-10,13-14,19-21H,11-12,15-18H2,1-7H3;7-9,14-15,18-20H,6,10-13,16-17H2,1-5H3;5-11,14-15H,4,12-13,16H2,1-3H3;9-11,13-14,17H,6-8,12,15-16H2,1-5H3;5-7,9,11,14,19H,8,10,12-13H2,1-4H3.

What are the key properties of 4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl 2,2-dimethylpropanoate;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-2,2-dimethylpropyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-(7,7-dimethyl-5-oxooctyl)-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide?

4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl 2,2-dimethylpropanoate;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-2,2-dimethylpropyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-(7,7-dimethyl-5-oxooctyl)-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide has a molecular weight of 2210.98 g/mol, XLogP of 21.81, 50 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl 2,2-dimethylpropanoate;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]-2,2-dimethylpropyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-(7,7-dimethyl-5-oxooctyl)-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 159625106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).