N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide

C24H22ClF3N2O4S — CID 43871386

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C
InChIInChI=1S/C24H22ClF3N2O4S/c1-15-12-18(9-11-22(15)34-2)35(32,33)30-21(13-16-6-4-3-5-7-16)23(31)29-17-8-10-20(25)19(14-17)24(26,27)28/h3-12,14,21,30H,13H2,1-2H3,(H,29,31)
InChIKeyWXYDFZBFSZMCGP-UHFFFAOYSA-N
MW526.96 g/mol
LogP5.20
Rot. Bonds8

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 43871386) has the molecular formula C24H22ClF3N2O4S and a molecular weight of 526.96 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID43871386
Molecular FormulaC24H22ClF3N2O4S
Molecular Weight526.96 g/mol
Exact Mass526.09
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C
InChIInChI=1S/C24H22ClF3N2O4S/c1-15-12-18(9-11-22(15)34-2)35(32,33)30-21(13-16-6-4-3-5-7-16)23(31)29-17-8-10-20(25)19(14-17)24(26,27)28/h3-12,14,21,30H,13H2,1-2H3,(H,29,31)
InChIKeyWXYDFZBFSZMCGP-UHFFFAOYSA-N
XLogP5.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.96
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94860854
N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871402
(2S)-N-(3-chloro-4-fluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541863
(2R)-N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541703
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N,3-diphenylpropanamide
CID 28541649
(2S)-N-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541743
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
CID 28541662
(2R)-N-(4-chloro-2-methylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541793
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 43870947
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 94860925
N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871398
(2S)-N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541491

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide (CID 43871386) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide is COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is WXYDFZBFSZMCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N2O4S/c1-15-12-18(9-11-22(15)34-2)35(32,33)30-21(13-16-6-4-3-5-7-16)23(31)29-17-8-10-20(25)19(14-17)24(26,27)28/h3-12,14,21,30H,13H2,1-2H3,(H,29,31).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 526.96 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 43871386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).