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

C17H16ClN3O3S — CID 5075428

IUPAC6-acetyl-2-[(4-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1
InChIInChI=1S/C17H16ClN3O3S/c1-9(22)21-7-6-12-13(8-21)25-17(14(12)15(19)23)20-16(24)10-2-4-11(18)5-3-10/h2-5H,6-8H2,1H3,(H2,19,23)(H,20,24)
InChIKeyRADQRJOTJIPXIH-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.66
Rot. Bonds3

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

6-acetyl-2-[(4-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 5075428) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 6-acetyl-2-[(4-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-[(4-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID5075428
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name6-acetyl-2-[(4-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1
InChIInChI=1S/C17H16ClN3O3S/c1-9(22)21-7-6-12-13(8-21)25-17(14(12)15(19)23)20-16(24)10-2-4-11(18)5-3-10/h2-5H,6-8H2,1H3,(H2,19,23)(H,20,24)
InChIKeyRADQRJOTJIPXIH-UHFFFAOYSA-N
XLogP2.66
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(Carbamoylamino)-5-(4-Chlorophenyl)-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11451776
(2-Amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)(4-chlorophenyl)methanone
CID 2814020
N-(4-chlorobenzyl)-7-methyl-2-(4-morpholinylmethyl)-4-oxo-4,7-dihydrothieno(2,3-b)pyridine-5-carboxamide
CID 503580
2-(3-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 704777
2-(2-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 723141
2-(4-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 2066142
N-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxo-thieno[2,3-b]pyridine-5-carboxamide
CID 6482389
3-[6-acetyl-3-(2-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1,1-diethylurea
CID 9845766
N-(4-Chlorobenzyl)4-hydroxy-2-(4-morpholinylmethyl)thieno[2,3-b]pyridine-5-carboxamide
CID 9953786
N-[3-(2-chlorobenzoyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-methylpropanamide
CID 44288434
N-[3-(2-chlorobenzoyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide
CID 44288736
2-[(4-chlorophenyl)carbamoylamino]-6-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide iodide
CID 118269730

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[(4-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-[(4-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 5075428) is 6-acetyl-2-[(4-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-[(4-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-[(4-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1.
What is the InChIKey of 6-acetyl-2-[(4-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is RADQRJOTJIPXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-9(22)21-7-6-12-13(8-21)25-17(14(12)15(19)23)20-16(24)10-2-4-11(18)5-3-10/h2-5H,6-8H2,1H3,(H2,19,23)(H,20,24).
What are the key properties of 6-acetyl-2-[(4-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-[(4-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 377.85 g/mol, XLogP of 2.66, 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-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 5075428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).