N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide

C18H20N2O3S — CID 26679935

IUPACN-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C18H20N2O3S/c1-12(2)18(23)20-14-7-5-13(6-8-14)19-17(22)10-9-15(21)16-4-3-11-24-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWNSAWRPYZVHYIG-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.94
Rot. Bonds7

About N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 26679935) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID26679935
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C18H20N2O3S/c1-12(2)18(23)20-14-7-5-13(6-8-14)19-17(22)10-9-15(21)16-4-3-11-24-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWNSAWRPYZVHYIG-UHFFFAOYSA-N
XLogP3.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide
CID 9294245
N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108807727
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide
CID 110298049
N-(3,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26695152
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7799576
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796389
N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46669254
2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid
CID 108807708
4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 46542151

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 26679935) is N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide is CC(C)C(=O)Nc1ccc(NC(=O)CCC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is WNSAWRPYZVHYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12(2)18(23)20-14-7-5-13(6-8-14)19-17(22)10-9-15(21)16-4-3-11-24-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 344.44 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 26679935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).