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

C14H19ClN2O2S — CID 146085843

IUPAC2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide
SMILESCCCC(NC(=O)CCl)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C14H19ClN2O2S/c1-2-3-11(16-13(18)8-15)14(19)17-6-4-12-10(9-17)5-7-20-12/h5,7,11H,2-4,6,8-9H2,1H3,(H,16,18)
InChIKeyJDMPBMDMBMPTGS-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.16
Rot. Bonds5

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

2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide (PubChem CID 146085843) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide
PubChem CID146085843
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide
SMILESCCCC(NC(=O)CCl)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C14H19ClN2O2S/c1-2-3-11(16-13(18)8-15)14(19)17-6-4-12-10(9-17)5-7-20-12/h5,7,11H,2-4,6,8-9H2,1H3,(H,16,18)
InChIKeyJDMPBMDMBMPTGS-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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
4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide
CID 52522702
2-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975797
(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
(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
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
(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
(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]pentan-1-one
CID 99819854
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(pentan-2-ylamino)ethanone
CID 43388505

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide (CID 146085843) is 2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide is CCCC(NC(=O)CCl)C(=O)N1CCc2sccc2C1.
What is the InChIKey of 2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide?
The InChIKey is JDMPBMDMBMPTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-2-3-11(16-13(18)8-15)14(19)17-6-4-12-10(9-17)5-7-20-12/h5,7,11H,2-4,6,8-9H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide?
2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide has a molecular weight of 314.84 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide is sourced from PubChem (CID 146085843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).