(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide

C26H25ClF3N3O4S — CID 118037751

IUPAC(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
SMILESCCN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1C)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C26H25ClF3N3O4S/c1-3-33(19-13-14-21(27)20(16-19)26(28,29)30)24(34)22(15-18-10-5-4-6-11-18)31-25(35)32-38(36,37)23-12-8-7-9-17(23)2/h4-14,16,22H,3,15H2,1-2H3,(H2,31,32,35)/t22-/m0/s1
InChIKeyABMVCSKIXNDCIX-QFIPXVFZSA-N
MW568.02 g/mol
LogP5.32
Rot. Bonds8

About (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide

(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide (PubChem CID 118037751) has the molecular formula C26H25ClF3N3O4S and a molecular weight of 568.02 g/mol. Its IUPAC name is (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
PubChem CID118037751
Molecular FormulaC26H25ClF3N3O4S
Molecular Weight568.02 g/mol
Exact Mass567.12
IUPAC Name(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
SMILESCCN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1C)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C26H25ClF3N3O4S/c1-3-33(19-13-14-21(27)20(16-19)26(28,29)30)24(34)22(15-18-10-5-4-6-11-18)31-25(35)32-38(36,37)23-12-8-7-9-17(23)2/h4-14,16,22H,3,15H2,1-2H3,(H2,31,32,35)/t22-/m0/s1
InChIKeyABMVCSKIXNDCIX-QFIPXVFZSA-N
XLogP5.32
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.02
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide?
The IUPAC name of (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide (CID 118037751) is (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide?
The canonical SMILES for (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide is CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1C)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide?
The InChIKey is ABMVCSKIXNDCIX-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H25ClF3N3O4S/c1-3-33(19-13-14-21(27)20(16-19)26(28,29)30)24(34)22(15-18-10-5-4-6-11-18)31-25(35)32-38(36,37)23-12-8-7-9-17(23)2/h4-14,16,22H,3,15H2,1-2H3,(H2,31,32,35)/t22-/m0/s1.
What are the key properties of (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide?
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide has a molecular weight of 568.02 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide is sourced from PubChem (CID 118037751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).