4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide

C24H30ClF3N2O3S — CID 100505148

IUPAC4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide
SMILESCCCC[C@H](CC)CNC(=O)c1ccc(CN(c2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)cc1
InChIInChI=1S/C24H30ClF3N2O3S/c1-4-6-7-17(5-2)15-29-23(31)19-10-8-18(9-11-19)16-30(34(3,32)33)22-13-12-20(25)14-21(22)24(26,27)28/h8-14,17H,4-7,15-16H2,1-3H3,(H,29,31)/t17-/m0/s1
InChIKeyFGRKIAJVNCCSSI-KRWDZBQOSA-N
MW519.03 g/mol
LogP6.27
Rot. Bonds11

About 4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide

4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide (PubChem CID 100505148) has the molecular formula C24H30ClF3N2O3S and a molecular weight of 519.03 g/mol. Its IUPAC name is 4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide.

Molecular Properties

Compound Name4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide
PubChem CID100505148
Molecular FormulaC24H30ClF3N2O3S
Molecular Weight519.03 g/mol
Exact Mass518.16
IUPAC Name4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide
SMILESCCCC[C@H](CC)CNC(=O)c1ccc(CN(c2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)cc1
InChIInChI=1S/C24H30ClF3N2O3S/c1-4-6-7-17(5-2)15-29-23(31)19-10-8-18(9-11-19)16-30(34(3,32)33)22-13-12-20(25)14-21(22)24(26,27)28/h8-14,17H,4-7,15-16H2,1-3H3,(H,29,31)/t17-/m0/s1
InChIKeyFGRKIAJVNCCSSI-KRWDZBQOSA-N
XLogP6.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.03
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]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

4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide
CID 133202074
4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-(2-phenylpropyl)benzamide
CID 133202069
4-[(5-chloro-N-methylsulfonyl-2-phenoxyanilino)methyl]-N-(2-ethylhexyl)benzamide
CID 133202009
4-[(3-bromo-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide
CID 133218548
2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide
CID 133185431
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185206
N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133163863
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylhexyl)benzamide
CID 133185556
4-butyl-N-(2-ethylhexyl)benzamide
CID 91723782
N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 133229169
4-chloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 114306518
4-(dimethylamino)-N-(2-ethylhexyl)benzamide
CID 60520434

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide?
The IUPAC name of 4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide (CID 100505148) is 4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide.
What is the SMILES notation for 4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide?
The canonical SMILES for 4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide is CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide?
The InChIKey is FGRKIAJVNCCSSI-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30ClF3N2O3S/c1-4-6-7-17(5-2)15-29-23(31)19-10-8-18(9-11-19)16-30(34(3,32)33)22-13-12-20(25)14-21(22)24(26,27)28/h8-14,17H,4-7,15-16H2,1-3H3,(H,29,31)/t17-/m0/s1.
What are the key properties of 4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide?
4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide has a molecular weight of 519.03 g/mol, XLogP of 6.27, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide is sourced from PubChem (CID 100505148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).