6-acetyl-2-[(4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C18H19N3O3S — CID 4181223

IUPAC6-acetyl-2-[(4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)cc3)c2C(N)=O)C1
InChIInChI=1S/C18H19N3O3S/c1-10-3-5-12(6-4-10)17(24)20-18-15(16(19)23)13-7-8-21(11(2)22)9-14(13)25-18/h3-6H,7-9H2,1-2H3,(H2,19,23)(H,20,24)
InChIKeyKABFDUMCGWBJQW-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.31
Rot. Bonds3

About 6-acetyl-2-[(4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-acetyl-2-[(4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 4181223) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 6-acetyl-2-[(4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-[(4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID4181223
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name6-acetyl-2-[(4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)cc3)c2C(N)=O)C1
InChIInChI=1S/C18H19N3O3S/c1-10-3-5-12(6-4-10)17(24)20-18-15(16(19)23)13-7-8-21(11(2)22)9-14(13)25-18/h3-6H,7-9H2,1-2H3,(H2,19,23)(H,20,24)
InChIKeyKABFDUMCGWBJQW-UHFFFAOYSA-N
XLogP2.31
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[(4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-[(4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 4181223) is 6-acetyl-2-[(4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-[(4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-[(4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)cc3)c2C(N)=O)C1.
What is the InChIKey of 6-acetyl-2-[(4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is KABFDUMCGWBJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-10-3-5-12(6-4-10)17(24)20-18-15(16(19)23)13-7-8-21(11(2)22)9-14(13)25-18/h3-6H,7-9H2,1-2H3,(H2,19,23)(H,20,24).
What are the key properties of 6-acetyl-2-[(4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-[(4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[(4-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4181223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).