N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide

C35H38N4O5S2 — CID 138524869

About N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide (PubChem CID 138524869) has the molecular formula C35H38N4O5S2 and a molecular weight of 658.85 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide
• PubChem CID: 138524869
• Molecular Formula: C35H38N4O5S2
• Molecular Weight: 658.85 g/mol
• Exact Mass: 658.23
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide
• SMILES: Cc1c(-c2cc(C(=O)NS(=O)(=O)c3cccc(N)n3)c3c(OCC4CC(C)(C)OC(C)(C)C4)ccc(C)c3n2)sc2ccccc12
• InChI: InChI=1S/C35H38N4O5S2/c1-20-14-15-26(43-19-22-17-34(3,4)44-35(5,6)18-22)30-24(33(40)39-46(41,42)29-13-9-12-28(36)38-29)16-25(37-31(20)30)32-21(2)23-10-7-8-11-27(23)45-32/h7-16,22H,17-19H2,1-6H3,(H2,36,38)(H,39,40)
• InChIKey: OUCGWQMIKNKOHL-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 133.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.85
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide (CID 138524869) is N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide is Cc1c(-c2cc(C(=O)NS(=O)(=O)c3cccc(N)n3)c3c(OCC4CC(C)(C)OC(C)(C)C4)ccc(C)c3n2)sc2ccccc12.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide?

The InChIKey is OUCGWQMIKNKOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O5S2/c1-20-14-15-26(43-19-22-17-34(3,4)44-35(5,6)18-22)30-24(33(40)39-46(41,42)29-13-9-12-28(36)38-29)16-25(37-31(20)30)32-21(2)23-10-7-8-11-27(23)45-32/h7-16,22H,17-19H2,1-6H3,(H2,36,38)(H,39,40).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide has a molecular weight of 658.85 g/mol, XLogP of 7.19, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(2,2,6,6-tetramethyloxan-4-yl)methoxy]quinoline-4-carboxamide is sourced from PubChem (CID 138524869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).