4-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-(methanesulfonamido)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide

C51H54Cl2N10O10S — CID 158114952

About 4-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-(methanesulfonamido)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide

4-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-(methanesulfonamido)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 158114952) has the molecular formula C51H54Cl2N10O10S and a molecular weight of 1070.03 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-(methanesulfonamido)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-(methanesulfonamido)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide
• PubChem CID: 158114952
• Molecular Formula: C51H54Cl2N10O10S
• Molecular Weight: 1070.03 g/mol
• Exact Mass: 1068.31
• IUPAC Name: 4-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-(methanesulfonamido)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide
• SMILES: CS(=O)(=O)Nc1cccc2oc(C(=O)Nc3ccc(Cl)cn3)c(NC(=O)C3CCC(N4CCCC4=O)CC3)c12.Nc1cccc2oc(C(=O)Nc3ccc(Cl)cn3)c(NC(=O)C3CCC(N4CCCC4=O)CC3)c12
• InChI: InChI=1S/C26H28ClN5O6S.C25H26ClN5O4/c1-39(36,37)31-18-4-2-5-19-22(18)23(24(38-19)26(35)29-20-12-9-16(27)14-28-20)30-25(34)15-7-10-17(11-8-15)32-13-3-6-21(32)33;26-15-8-11-19(28-13-15)29-25(34)23-22(21-17(27)3-1-4-18(21)35-23)30-24(33)14-6-9-16(10-7-14)31-12-2-5-20(31)32/h2,4-5,9,12,14-15,17,31H,3,6-8,10-11,13H2,1H3,(H,30,34)(H,28,29,35);1,3-4,8,11,13-14,16H,2,5-7,9-10,12,27H2,(H,30,33)(H,28,29,34)
• InChIKey: FQWRAPBMYTZKFL-UHFFFAOYSA-N
• XLogP: 8.66
• TPSA: 281.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1070.03
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-(methanesulfonamido)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide?

The IUPAC name of 4-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-(methanesulfonamido)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide (CID 158114952) is 4-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-(methanesulfonamido)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 4-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-(methanesulfonamido)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide?

The canonical SMILES for 4-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-(methanesulfonamido)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide is CS(=O)(=O)Nc1cccc2oc(C(=O)Nc3ccc(Cl)cn3)c(NC(=O)C3CCC(N4CCCC4=O)CC3)c12.Nc1cccc2oc(C(=O)Nc3ccc(Cl)cn3)c(NC(=O)C3CCC(N4CCCC4=O)CC3)c12.

What is the InChIKey of 4-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-(methanesulfonamido)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide?

The InChIKey is FQWRAPBMYTZKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O6S.C25H26ClN5O4/c1-39(36,37)31-18-4-2-5-19-22(18)23(24(38-19)26(35)29-20-12-9-16(27)14-28-20)30-25(34)15-7-10-17(11-8-15)32-13-3-6-21(32)33;26-15-8-11-19(28-13-15)29-25(34)23-22(21-17(27)3-1-4-18(21)35-23)30-24(33)14-6-9-16(10-7-14)31-12-2-5-20(31)32/h2,4-5,9,12,14-15,17,31H,3,6-8,10-11,13H2,1H3,(H,30,34)(H,28,29,35);1,3-4,8,11,13-14,16H,2,5-7,9-10,12,27H2,(H,30,33)(H,28,29,34).

What are the key properties of 4-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-(methanesulfonamido)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide?

4-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-(methanesulfonamido)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 1070.03 g/mol, XLogP of 8.66, 12 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-(methanesulfonamido)-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 158114952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).