N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide

C13H19NO2S — CID 157304245

IUPACN-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide
SMILESCC(C)C(C)(C)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C13H19NO2S/c1-9(2)13(3,4)11(15)8-14-12(16)10-6-5-7-17-10/h5-7,9H,8H2,1-4H3,(H,14,16)
InChIKeyBCGMBFJBIADSOW-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.73
Rot. Bonds5

About N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide

N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide (PubChem CID 157304245) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide
PubChem CID157304245
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide
SMILESCC(C)C(C)(C)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C13H19NO2S/c1-9(2)13(3,4)11(15)8-14-12(16)10-6-5-7-17-10/h5-7,9H,8H2,1-4H3,(H,14,16)
InChIKeyBCGMBFJBIADSOW-UHFFFAOYSA-N
XLogP2.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 103759054
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 8662361
N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102908401
N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride
CID 120506210
N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134058776
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide
CID 107156721
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
CID 95740854
N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride
CID 119599344
N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 113476087
[2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7807951
4-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 5197370

Frequently Asked Questions

What is the IUPAC name of N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide?
The IUPAC name of N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide (CID 157304245) is N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide is CC(C)C(C)(C)C(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide?
The InChIKey is BCGMBFJBIADSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9(2)13(3,4)11(15)8-14-12(16)10-6-5-7-17-10/h5-7,9H,8H2,1-4H3,(H,14,16).
What are the key properties of N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide?
N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide is sourced from PubChem (CID 157304245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).