6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C23H27N5O7S2 — CID 4285945

About 6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 4285945) has the molecular formula C23H27N5O7S2 and a molecular weight of 549.63 g/mol. Its IUPAC name is 6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 4285945
• Molecular Formula: C23H27N5O7S2
• Molecular Weight: 549.63 g/mol
• Exact Mass: 549.14
• IUPAC Name: 6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4COCC4(C)C)cc3)c2C(=O)NC(N)=O)C1
• InChI: InChI=1S/C23H27N5O7S2/c1-13(29)27-9-8-16-17(10-27)36-21(18(16)20(31)26-22(24)32)25-19(30)14-4-6-15(7-5-14)37(33,34)28-12-35-11-23(28,2)3/h4-7H,8-12H2,1-3H3,(H,25,30)(H3,24,26,31,32)
• InChIKey: ONAAKWMIIGNNGX-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 168.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.63
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 4285945) is 6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4COCC4(C)C)cc3)c2C(=O)NC(N)=O)C1.

What is the InChIKey of 6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is ONAAKWMIIGNNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O7S2/c1-13(29)27-9-8-16-17(10-27)36-21(18(16)20(31)26-22(24)32)25-19(30)14-4-6-15(7-5-14)37(33,34)28-12-35-11-23(28,2)3/h4-7H,8-12H2,1-3H3,(H,25,30)(H3,24,26,31,32).

What are the key properties of 6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 549.63 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4285945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).