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

C18H22N2O4S2 — CID 108807727

IUPACN-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-13(2)12-19-26(23,24)15-7-5-14(6-8-15)20-18(22)10-9-16(21)17-4-3-11-25-17/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyXPWKZBHSTJKLPS-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.28
Rot. Bonds9

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

N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 108807727) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID108807727
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C18H22N2O4S2/c1-13(2)12-19-26(23,24)15-7-5-14(6-8-15)20-18(22)10-9-16(21)17-4-3-11-25-17/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyXPWKZBHSTJKLPS-UHFFFAOYSA-N
XLogP3.28
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108796370
4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide
CID 108807460
4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide
CID 9294245
[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 41296919
N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30806579
N-(3,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26695152
4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide
CID 126185320
5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide
CID 110298049
2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid
CID 108807708
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7800136

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 108807727) is N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide is CC(C)CNS(=O)(=O)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is XPWKZBHSTJKLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-13(2)12-19-26(23,24)15-7-5-14(6-8-15)20-18(22)10-9-16(21)17-4-3-11-25-17/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 394.52 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 108807727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).