2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide

C21H24ClF3N2O3S — CID 43905915

IUPAC2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide
SMILESCC(C)CC(NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C21H24ClF3N2O3S/c1-14(2)11-18(15-7-5-4-6-8-15)26-20(28)13-27(31(3,29)30)19-12-16(21(23,24)25)9-10-17(19)22/h4-10,12,14,18H,11,13H2,1-3H3,(H,26,28)
InChIKeyZPJBVGREDUBRPI-UHFFFAOYSA-N
MW476.95 g/mol
LogP5.03
Rot. Bonds8

About 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide

2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide (PubChem CID 43905915) has the molecular formula C21H24ClF3N2O3S and a molecular weight of 476.95 g/mol. Its IUPAC name is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide
PubChem CID43905915
Molecular FormulaC21H24ClF3N2O3S
Molecular Weight476.95 g/mol
Exact Mass476.11
IUPAC Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide
SMILESCC(C)CC(NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C21H24ClF3N2O3S/c1-14(2)11-18(15-7-5-4-6-8-15)26-20(28)13-27(31(3,29)30)19-12-16(21(23,24)25)9-10-17(19)22/h4-10,12,14,18H,11,13H2,1-3H3,(H,26,28)
InChIKeyZPJBVGREDUBRPI-UHFFFAOYSA-N
XLogP5.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.95
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide 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

2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92671427
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 38018458
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 22193695
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567894
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43896298
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43902138
N-[(1S)-1-phenylpropyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 30394084
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide
CID 22193721
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30306397
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30305612
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 30380028
N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide
CID 1320398

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide?
The IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide (CID 43905915) is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide.
What is the SMILES notation for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide?
The canonical SMILES for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide is CC(C)CC(NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide?
The InChIKey is ZPJBVGREDUBRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClF3N2O3S/c1-14(2)11-18(15-7-5-4-6-8-15)26-20(28)13-27(31(3,29)30)19-12-16(21(23,24)25)9-10-17(19)22/h4-10,12,14,18H,11,13H2,1-3H3,(H,26,28).
What are the key properties of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide?
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide has a molecular weight of 476.95 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide is sourced from PubChem (CID 43905915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).