4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide

C19H21ClN2O2S — CID 52522702

IUPAC4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide
SMILESCCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C19H21ClN2O2S/c1-2-3-16(21-18(23)13-4-6-15(20)7-5-13)19(24)22-10-8-17-14(12-22)9-11-25-17/h4-7,9,11,16H,2-3,8,10,12H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyGKGHYHRHRPIZNI-MRXNPFEDSA-N
MW376.91 g/mol
LogP3.88
Rot. Bonds5

About 4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide

4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide (PubChem CID 52522702) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide
PubChem CID52522702
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide
SMILESCCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C19H21ClN2O2S/c1-2-3-16(21-18(23)13-4-6-15(20)7-5-13)19(24)22-10-8-17-14(12-22)9-11-25-17/h4-7,9,11,16H,2-3,8,10,12H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyGKGHYHRHRPIZNI-MRXNPFEDSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]benzamide
CID 42470212
2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide
CID 146085843
N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpropanamide
CID 52876316
2-(4-aminophenyl)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide
CID 119765404
2-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975797
(2R,3R)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-3-methyloxolane-2-carboxamide
CID 97027212
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]pentanoic acid
CID 43631475
(2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97213212
(2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120629717
methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate
CID 154877579
2-bromo-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 30454991
(2S,5R)-5-(aminomethyl)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120791303

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide (CID 52522702) is 4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide is CCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2sccc2C1.
What is the InChIKey of 4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide?
The InChIKey is GKGHYHRHRPIZNI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-2-3-16(21-18(23)13-4-6-15(20)7-5-13)19(24)22-10-8-17-14(12-22)9-11-25-17/h4-7,9,11,16H,2-3,8,10,12H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide?
4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide has a molecular weight of 376.91 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 52522702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).