2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

C29H23F3N2O2S — CID 18906044

IUPAC2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(SC(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1
InChIInChI=1S/C29H23F3N2O2S/c30-29(31,32)22-13-7-14-23(18-22)34-28(36)27(21-11-5-2-6-12-21)37-25-16-8-15-24(19-25)33-26(35)17-20-9-3-1-4-10-20/h1-16,18-19,27H,17H2,(H,33,35)(H,34,36)
InChIKeyZNYSPGZFXQTCEQ-UHFFFAOYSA-N
MW520.58 g/mol
LogP7.36
Rot. Bonds8

About 2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 18906044) has the molecular formula C29H23F3N2O2S and a molecular weight of 520.58 g/mol. Its IUPAC name is 2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID18906044
Molecular FormulaC29H23F3N2O2S
Molecular Weight520.58 g/mol
Exact Mass520.14
IUPAC Name2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(SC(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1
InChIInChI=1S/C29H23F3N2O2S/c30-29(31,32)22-13-7-14-23(18-22)34-28(36)27(21-11-5-2-6-12-21)37-25-16-8-15-24(19-25)33-26(35)17-20-9-3-1-4-10-20/h1-16,18-19,27H,17H2,(H,33,35)(H,34,36)
InChIKeyZNYSPGZFXQTCEQ-UHFFFAOYSA-N
XLogP7.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.58
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]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-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 18902614
N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 18906050
N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
CID 18902594
N-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 18906081
4-methyl-N-[3-[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 18907196
4-[[2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18902642
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
CID 18902620
N-[(Z)-3-oxo-3-[3-[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylanilino]-1-phenylprop-1-en-2-yl]benzamide
CID 19304949
3,3-dimethyl-N-[3-[2-oxo-1-phenyl-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide
CID 18907483
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(2,4-dichlorophenyl)-2-phenylacetamide
CID 18902600
4-chloro-3-[[2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18902641
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 18906110

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 18906044) is 2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccccc1)Nc1cccc(SC(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1.
What is the InChIKey of 2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZNYSPGZFXQTCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N2O2S/c30-29(31,32)22-13-7-14-23(18-22)34-28(36)27(21-11-5-2-6-12-21)37-25-16-8-15-24(19-25)33-26(35)17-20-9-3-1-4-10-20/h1-16,18-19,27H,17H2,(H,33,35)(H,34,36).
What are the key properties of 2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 520.58 g/mol, XLogP of 7.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18906044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).