N-methyl-4-oxo-N-thiophen-2-ylpentanamide

C10H13NO2S — CID 115176753

IUPACN-methyl-4-oxo-N-thiophen-2-ylpentanamide
SMILESCC(=O)CCC(=O)N(C)c1cccs1
InChIInChI=1S/C10H13NO2S/c1-8(12)5-6-9(13)11(2)10-4-3-7-14-10/h3-4,7H,5-6H2,1-2H3
InChIKeyYNAZTDGJKGJWAU-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.08
Rot. Bonds4

About N-methyl-4-oxo-N-thiophen-2-ylpentanamide

N-methyl-4-oxo-N-thiophen-2-ylpentanamide (PubChem CID 115176753) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-methyl-4-oxo-N-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-thiophen-2-ylpentanamide
PubChem CID115176753
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-methyl-4-oxo-N-thiophen-2-ylpentanamide
SMILESCC(=O)CCC(=O)N(C)c1cccs1
InChIInChI=1S/C10H13NO2S/c1-8(12)5-6-9(13)11(2)10-4-3-7-14-10/h3-4,7H,5-6H2,1-2H3
InChIKeyYNAZTDGJKGJWAU-UHFFFAOYSA-N
XLogP2.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[methyl(thiophen-2-yl)amino]-4-oxobutanoic acid
CID 115164997
N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
CID 115171742
N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide
CID 115176777
1,3-dimethyl-1-thiophen-2-ylurea
CID 115168951
2-hydroxy-N-methyl-N-thiophen-2-ylpropanamide
CID 115140457
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
2-[methyl(thiophen-2-yl)carbamoyl]propanedioic acid
CID 175014913
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
N-methyl-4-oxo-N-(1H-pyrrol-2-yl)pentanamide
CID 115176799
N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide
CID 94102437
1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide
CID 115183976
1,1,3,3-tetrathiophen-2-ylurea
CID 19774771

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-thiophen-2-ylpentanamide?
The IUPAC name of N-methyl-4-oxo-N-thiophen-2-ylpentanamide (CID 115176753) is N-methyl-4-oxo-N-thiophen-2-ylpentanamide.
What is the SMILES notation for N-methyl-4-oxo-N-thiophen-2-ylpentanamide?
The canonical SMILES for N-methyl-4-oxo-N-thiophen-2-ylpentanamide is CC(=O)CCC(=O)N(C)c1cccs1.
What is the InChIKey of N-methyl-4-oxo-N-thiophen-2-ylpentanamide?
The InChIKey is YNAZTDGJKGJWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-8(12)5-6-9(13)11(2)10-4-3-7-14-10/h3-4,7H,5-6H2,1-2H3.
What are the key properties of N-methyl-4-oxo-N-thiophen-2-ylpentanamide?
N-methyl-4-oxo-N-thiophen-2-ylpentanamide has a molecular weight of 211.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-thiophen-2-ylpentanamide is sourced from PubChem (CID 115176753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).