2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide

C19H17ClN2O2S — CID 577401

IUPAC2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide
SMILESCC(NC(=O)c1cn(C2CC2)c2sc(Cl)cc2c1=O)c1ccccc1
InChIInChI=1S/C19H17ClN2O2S/c1-11(12-5-3-2-4-6-12)21-18(24)15-10-22(13-7-8-13)19-14(17(15)23)9-16(20)25-19/h2-6,9-11,13H,7-8H2,1H3,(H,21,24)
InChIKeyLPGKWJRGJCRCFJ-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.54
Rot. Bonds4

About 2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide

2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide (PubChem CID 577401) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide
PubChem CID577401
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide
SMILESCC(NC(=O)c1cn(C2CC2)c2sc(Cl)cc2c1=O)c1ccccc1
InChIInChI=1S/C19H17ClN2O2S/c1-11(12-5-3-2-4-6-12)21-18(24)15-10-22(13-7-8-13)19-14(17(15)23)9-16(20)25-19/h2-6,9-11,13H,7-8H2,1H3,(H,21,24)
InChIKeyLPGKWJRGJCRCFJ-UHFFFAOYSA-N
XLogP4.54
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-6-bromo-2-methyl-9-oxo-N-[(1S)-1-phenylethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878952
9-oxo-N-[(1S)-1-phenylethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878672
6-bromo-9-oxo-N-[(1R)-1-phenylethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878839
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
4-oxo-N-[(1R)-1-phenylethyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132427
4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide
CID 61117976
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
CID 30133856
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-chloro-N-[(1S)-1-phenylethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 51421106
5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide
CID 26399691

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide (CID 577401) is 2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide is CC(NC(=O)c1cn(C2CC2)c2sc(Cl)cc2c1=O)c1ccccc1.
What is the InChIKey of 2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is LPGKWJRGJCRCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-11(12-5-3-2-4-6-12)21-18(24)15-10-22(13-7-8-13)19-14(17(15)23)9-16(20)25-19/h2-6,9-11,13H,7-8H2,1H3,(H,21,24).
What are the key properties of 2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide?
2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 372.88 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-cyclopropyl-4-oxo-N-(1-phenylethyl)thieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 577401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).