2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]phenyl]acetamide

C32H34F3NO2S — CID 142449158

IUPAC2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]phenyl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc([C@H]3C(c4ccc(C(F)(F)F)cc4)CCC(=O)[C@@H]3C(C)C)cc2)cc1
InChIInChI=1S/C32H34F3NO2S/c1-4-39-26-15-5-21(6-16-26)19-29(38)36-25-13-9-23(10-14-25)31-27(17-18-28(37)30(31)20(2)3)22-7-11-24(12-8-22)32(33,34)35/h5-16,20,27,30-31H,4,17-19H2,1-3H3,(H,36,38)/t27?,30-,31-/m0/s1
InChIKeyFSURCLCBEDAGFM-GEFJNAJGSA-N
MW553.69 g/mol
LogP8.50
Rot. Bonds8

About 2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]phenyl]acetamide

2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]phenyl]acetamide (PubChem CID 142449158) has the molecular formula C32H34F3NO2S and a molecular weight of 553.69 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]phenyl]acetamide
PubChem CID142449158
Molecular FormulaC32H34F3NO2S
Molecular Weight553.69 g/mol
Exact Mass553.23
IUPAC Name2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]phenyl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc([C@H]3C(c4ccc(C(F)(F)F)cc4)CCC(=O)[C@@H]3C(C)C)cc2)cc1
InChIInChI=1S/C32H34F3NO2S/c1-4-39-26-15-5-21(6-16-26)19-29(38)36-25-13-9-23(10-14-25)31-27(17-18-28(37)30(31)20(2)3)22-7-11-24(12-8-22)32(33,34)35/h5-16,20,27,30-31H,4,17-19H2,1-3H3,(H,36,38)/t27?,30-,31-/m0/s1
InChIKeyFSURCLCBEDAGFM-GEFJNAJGSA-N
XLogP8.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.69
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]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-(4-ethylsulfanylphenyl)-N-[4-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]phenyl]acetamide
CID 145231841
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
2-(4-ethylsulfonylphenyl)-N-[4-[5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]phenyl]acetamide
CID 146298098
methyl 2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]-2-methylpropanoate
CID 145231777
N-[4-(1,1-difluoro-2-oxoethyl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide;(3E)-N-methylhexa-1,3,5-trien-3-amine
CID 145231935
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38197953
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
tert-butyl N-[2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]propan-2-yl]carbamate
CID 145232207
N-(4-iodophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534873
N-[4-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27147330
2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
CID 119253975
N-(4-ethyl-3-fluorophenyl)-2-(4-ethylsulfanylphenyl)acetamide
CID 123212321

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]phenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]phenyl]acetamide (CID 142449158) is 2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]phenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]phenyl]acetamide is CCSc1ccc(CC(=O)Nc2ccc([C@H]3C(c4ccc(C(F)(F)F)cc4)CCC(=O)[C@@H]3C(C)C)cc2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]phenyl]acetamide?
The InChIKey is FSURCLCBEDAGFM-GEFJNAJGSA-N. The full InChI is InChI=1S/C32H34F3NO2S/c1-4-39-26-15-5-21(6-16-26)19-29(38)36-25-13-9-23(10-14-25)31-27(17-18-28(37)30(31)20(2)3)22-7-11-24(12-8-22)32(33,34)35/h5-16,20,27,30-31H,4,17-19H2,1-3H3,(H,36,38)/t27?,30-,31-/m0/s1.
What are the key properties of 2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]phenyl]acetamide?
2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]phenyl]acetamide has a molecular weight of 553.69 g/mol, XLogP of 8.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-N-[4-[(1S,2R)-3-oxo-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]cyclohexyl]phenyl]acetamide is sourced from PubChem (CID 142449158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).