3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

C19H23ClN2O3S — CID 110301247

IUPAC3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCC(C)(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-19(2,15-5-7-16(20)8-6-15)13-18(23)22-12-11-14-3-9-17(10-4-14)26(21,24)25/h3-10H,11-13H2,1-2H3,(H,22,23)(H2,21,24,25)
InChIKeyOAOCNMSNYMIKFD-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.01
Rot. Bonds7

About 3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 110301247) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID110301247
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCC(C)(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-19(2,15-5-7-16(20)8-6-15)13-18(23)22-12-11-14-3-9-17(10-4-14)26(21,24)25/h3-10H,11-13H2,1-2H3,(H,22,23)(H2,21,24,25)
InChIKeyOAOCNMSNYMIKFD-UHFFFAOYSA-N
XLogP3.01
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide 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-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate
CID 7324495
4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide
CID 3915071
1-(2-methyl-2-phenylpropyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 35664316
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methylbut-2-enoate
CID 8759577
2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2683015
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267
1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea
CID 1213468
1-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 17460142
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 110301247) is 3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is CC(C)(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is OAOCNMSNYMIKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-19(2,15-5-7-16(20)8-6-15)13-18(23)22-12-11-14-3-9-17(10-4-14)26(21,24)25/h3-10H,11-13H2,1-2H3,(H,22,23)(H2,21,24,25).
What are the key properties of 3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 394.92 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 110301247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).