2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide

C13H16N2O2S — CID 46395981

IUPAC2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide
SMILESCc1cc2c(=O)n(CC(=O)NC(C)C)ccc2s1
InChIInChI=1S/C13H16N2O2S/c1-8(2)14-12(16)7-15-5-4-11-10(13(15)17)6-9(3)18-11/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKeyCRCYGYAJMFKNIB-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.90
Rot. Bonds3

About 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide

2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide (PubChem CID 46395981) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide
PubChem CID46395981
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide
SMILESCc1cc2c(=O)n(CC(=O)NC(C)C)ccc2s1
InChIInChI=1S/C13H16N2O2S/c1-8(2)14-12(16)7-15-5-4-11-10(13(15)17)6-9(3)18-11/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKeyCRCYGYAJMFKNIB-UHFFFAOYSA-N
XLogP1.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(thiophen-2-ylformamido)butanamide
CID 25093406
(2S)-2-[(5-formylthiophen-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093408
N-[1-(Pyrrolidine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2179888
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 4651361
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 16389189
5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106469
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide (CID 46395981) is 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide is Cc1cc2c(=O)n(CC(=O)NC(C)C)ccc2s1.
What is the InChIKey of 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide?
The InChIKey is CRCYGYAJMFKNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-8(2)14-12(16)7-15-5-4-11-10(13(15)17)6-9(3)18-11/h4-6,8H,7H2,1-3H3,(H,14,16).
What are the key properties of 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide?
2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide has a molecular weight of 264.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 46395981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).