2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide

C18H17ClF3NOS — CID 112777251

IUPAC2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(SC(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCC(F)(F)F
InChIInChI=1S/C18H17ClF3NOS/c1-12(17(24)23-11-18(20,21)22)25-16(13-5-3-2-4-6-13)14-7-9-15(19)10-8-14/h2-10,12,16H,11H2,1H3,(H,23,24)
InChIKeyCZJKITBKEXMGDK-UHFFFAOYSA-N
MW387.85 g/mol
LogP5.23
Rot. Bonds6

About 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 112777251) has the molecular formula C18H17ClF3NOS and a molecular weight of 387.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID112777251
Molecular FormulaC18H17ClF3NOS
Molecular Weight387.85 g/mol
Exact Mass387.07
IUPAC Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(SC(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCC(F)(F)F
InChIInChI=1S/C18H17ClF3NOS/c1-12(17(24)23-11-18(20,21)22)25-16(13-5-3-2-4-6-13)14-7-9-15(19)10-8-14/h2-10,12,16H,11H2,1H3,(H,23,24)
InChIKeyCZJKITBKEXMGDK-UHFFFAOYSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.85
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide 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-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112777132
2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 144745057
2-(4-methylphenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78760732
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
(2R)-2-phenyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 94749994
2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115570006
N-[3-[[2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]propyl]-2-methylpropanamide
CID 97077393
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
CID 78856326
(2S)-2-[[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-ethylpropanamide
CID 8751991
(2S)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 95582151
2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104864899

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide (CID 112777251) is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide is CC(SC(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CZJKITBKEXMGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NOS/c1-12(17(24)23-11-18(20,21)22)25-16(13-5-3-2-4-6-13)14-7-9-15(19)10-8-14/h2-10,12,16H,11H2,1H3,(H,23,24).
What are the key properties of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 387.85 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 112777251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).