2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

C20H23ClF3N3O3S — CID 4833414

IUPAC2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H23ClF3N3O3S/c1-12(2)18(27-17-8-5-14(11-16(17)21)20(22,23)24)19(28)26-10-9-13-3-6-15(7-4-13)31(25,29)30/h3-8,11-12,18,27H,9-10H2,1-2H3,(H,26,28)(H2,25,29,30)
InChIKeyDZHPFJMPUPYERK-UHFFFAOYSA-N
MW477.94 g/mol
LogP3.80
Rot. Bonds8

About 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 4833414) has the molecular formula C20H23ClF3N3O3S and a molecular weight of 477.94 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID4833414
Molecular FormulaC20H23ClF3N3O3S
Molecular Weight477.94 g/mol
Exact Mass477.11
IUPAC Name2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H23ClF3N3O3S/c1-12(2)18(27-17-8-5-14(11-16(17)21)20(22,23)24)19(28)26-10-9-13-3-6-15(7-4-13)31(25,29)30/h3-8,11-12,18,27H,9-10H2,1-2H3,(H,26,28)(H2,25,29,30)
InChIKeyDZHPFJMPUPYERK-UHFFFAOYSA-N
XLogP3.80
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.94
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-chloro-4-(trifluoromethyl)anilino]-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

(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutanamide
CID 2112816
(2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutanamide
CID 2112817
(2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-N-methoxy-3-methylbutanamide
CID 51927564
(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]butanamide
CID 52716424
2-methyl-5-sulfamoyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 24672657
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide
CID 63668958
N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 3640741
2-chloro-N-[3-methyl-1-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethylamino]butan-2-yl]benzamide
CID 55328923
(2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 25470788
2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-piperidin-4-ylbutanamide
CID 119388228
2-[[(2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2116424

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 4833414) is 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is DZHPFJMPUPYERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF3N3O3S/c1-12(2)18(27-17-8-5-14(11-16(17)21)20(22,23)24)19(28)26-10-9-13-3-6-15(7-4-13)31(25,29)30/h3-8,11-12,18,27H,9-10H2,1-2H3,(H,26,28)(H2,25,29,30).
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 477.94 g/mol, XLogP of 3.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 4833414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).