N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C23H25N3O4S2 — CID 55843814

IUPACN-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1
InChIInChI=1S/C23H25N3O4S2/c1-2-6-22(27)26-19-9-3-7-17(13-19)15-24-23(28)18-8-4-11-21(14-18)32(29,30)25-16-20-10-5-12-31-20/h3-5,7-14,25H,2,6,15-16H2,1H3,(H,24,28)(H,26,27)
InChIKeyHULRBZWQEUGFSR-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.90
Rot. Bonds10

About N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 55843814) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID55843814
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC NameN-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1
InChIInChI=1S/C23H25N3O4S2/c1-2-6-22(27)26-19-9-3-7-17(13-19)15-24-23(28)18-8-4-11-21(14-18)32(29,30)25-16-20-10-5-12-31-20/h3-5,7-14,25H,2,6,15-16H2,1H3,(H,24,28)(H,26,27)
InChIKeyHULRBZWQEUGFSR-UHFFFAOYSA-N
XLogP3.90
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide 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-[[3-(butanoylamino)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55844311
N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55782491
N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60518879
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-[(4-methylsulfonylphenyl)methyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55961656
3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770474
N-[5-[[3-(butanoylamino)phenyl]methylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 60514903
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31553898
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427533
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977
N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120829635

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 55843814) is N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is CCCC(=O)Nc1cccc(CNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1.
What is the InChIKey of N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is HULRBZWQEUGFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-2-6-22(27)26-19-9-3-7-17(13-19)15-24-23(28)18-8-4-11-21(14-18)32(29,30)25-16-20-10-5-12-31-20/h3-5,7-14,25H,2,6,15-16H2,1H3,(H,24,28)(H,26,27).
What are the key properties of N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 471.60 g/mol, XLogP of 3.90, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 55843814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).