N-(3-oxopentan-2-yl)thiophene-3-carboxamide

C10H13NO2S — CID 64992041

IUPACN-(3-oxopentan-2-yl)thiophene-3-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1ccsc1
InChIInChI=1S/C10H13NO2S/c1-3-9(12)7(2)11-10(13)8-4-5-14-6-8/h4-7H,3H2,1-2H3,(H,11,13)
InChIKeyKGSSLGBXJSTZRP-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.85
Rot. Bonds4

About N-(3-oxopentan-2-yl)thiophene-3-carboxamide

N-(3-oxopentan-2-yl)thiophene-3-carboxamide (PubChem CID 64992041) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-(3-oxopentan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-oxopentan-2-yl)thiophene-3-carboxamide
PubChem CID64992041
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-(3-oxopentan-2-yl)thiophene-3-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1ccsc1
InChIInChI=1S/C10H13NO2S/c1-3-9(12)7(2)11-10(13)8-4-5-14-6-8/h4-7H,3H2,1-2H3,(H,11,13)
InChIKeyKGSSLGBXJSTZRP-UHFFFAOYSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide
CID 47459937
N-(5-methylhexan-2-yl)thiophene-3-carboxamide
CID 134035797
(2S)-2-(thiophene-3-carbonylamino)pentanoic acid
CID 107564268
4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid
CID 16775253
5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 107961893
N-pent-1-yn-3-ylthiophene-3-carboxamide
CID 103579364
N-(1-amino-4-methylpentan-2-yl)thiophene-3-carboxamide;hydrochloride
CID 119588578
N-(4-phenylbutan-2-yl)thiophene-3-carboxamide
CID 78803823
methyl 4-methyl-2-(thiophene-3-carbonylamino)pentanoate
CID 43406132
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide
CID 94197249
3-sulfanyl-2-(thiophene-3-carbonylamino)propanoic acid
CID 16777992
N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide
CID 43022770

Frequently Asked Questions

What is the IUPAC name of N-(3-oxopentan-2-yl)thiophene-3-carboxamide?
The IUPAC name of N-(3-oxopentan-2-yl)thiophene-3-carboxamide (CID 64992041) is N-(3-oxopentan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3-oxopentan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(3-oxopentan-2-yl)thiophene-3-carboxamide is CCC(=O)C(C)NC(=O)c1ccsc1.
What is the InChIKey of N-(3-oxopentan-2-yl)thiophene-3-carboxamide?
The InChIKey is KGSSLGBXJSTZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-3-9(12)7(2)11-10(13)8-4-5-14-6-8/h4-7H,3H2,1-2H3,(H,11,13).
What are the key properties of N-(3-oxopentan-2-yl)thiophene-3-carboxamide?
N-(3-oxopentan-2-yl)thiophene-3-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxopentan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 64992041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).