5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C18H19ClN2O2S — CID 53158992

IUPAC5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc2c(s1)CCN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C18H19ClN2O2S/c1-11(2)20-17(22)16-9-13-10-21(8-7-15(13)24-16)18(23)12-3-5-14(19)6-4-12/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,22)
InChIKeyHYZCTQBKUXDREI-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.74
Rot. Bonds3

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

5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 53158992) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID53158992
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc2c(s1)CCN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C18H19ClN2O2S/c1-11(2)20-17(22)16-9-13-10-21(8-7-15(13)24-16)18(23)12-3-5-14(19)6-4-12/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,22)
InChIKeyHYZCTQBKUXDREI-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(2-amino-2-oxoethyl)-5-(4-chlorobenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 91911244
5-(4-chlorobenzoyl)-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53159006
5-(4-methylbenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369272
5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369269
5-(4-chlorobenzoyl)-N-hydroxy-7,7-dimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxamide
CID 58157728
[2-[(3R)-3-methylpiperidine-1-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone
CID 95099242
[2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone
CID 53158935
[2-[(3S)-3-methylpiperidine-1-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone
CID 95099243
5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53159032
5-(4-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53159019
4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 122162020
4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]benzamide
CID 42470212

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 53158992) is 5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CC(C)NC(=O)c1cc2c(s1)CCN(C(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of 5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is HYZCTQBKUXDREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-11(2)20-17(22)16-9-13-10-21(8-7-15(13)24-16)18(23)12-3-5-14(19)6-4-12/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,22).
What are the key properties of 5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 362.88 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53158992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).