(2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide

C18H15ClF3NOS — CID 9038377

IUPAC(2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide
SMILESO=C(NC1CC1)[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H15ClF3NOS/c19-15-9-8-13(10-14(15)18(20,21)22)25-16(11-4-2-1-3-5-11)17(24)23-12-6-7-12/h1-5,8-10,12,16H,6-7H2,(H,23,24)/t16-/m0/s1
InChIKeyUDCLBYMMKYYKCR-INIZCTEOSA-N
MW385.84 g/mol
LogP5.47
Rot. Bonds5

About (2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide

(2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide (PubChem CID 9038377) has the molecular formula C18H15ClF3NOS and a molecular weight of 385.84 g/mol. Its IUPAC name is (2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide
PubChem CID9038377
Molecular FormulaC18H15ClF3NOS
Molecular Weight385.84 g/mol
Exact Mass385.05
IUPAC Name(2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide
SMILESO=C(NC1CC1)[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H15ClF3NOS/c19-15-9-8-13(10-14(15)18(20,21)22)25-16(11-4-2-1-3-5-11)17(24)23-12-6-7-12/h1-5,8-10,12,16H,6-7H2,(H,23,24)/t16-/m0/s1
InChIKeyUDCLBYMMKYYKCR-INIZCTEOSA-N
XLogP5.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.84
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenylacetamide;hydrochloride
CID 119476072
2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
CID 119387427
(2S)-2-(4-tert-butylphenyl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 9042642
N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide
CID 119474355
N-benzyl-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 16514506
N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 78810005
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
[(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] cyclopropanecarboxylate
CID 7863182
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
CID 119389227
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-nitrophenyl)propanamide
CID 7397774
N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 86207793
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 16514508

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide?
The IUPAC name of (2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide (CID 9038377) is (2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide is O=C(NC1CC1)[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of (2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide?
The InChIKey is UDCLBYMMKYYKCR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H15ClF3NOS/c19-15-9-8-13(10-14(15)18(20,21)22)25-16(11-4-2-1-3-5-11)17(24)23-12-6-7-12/h1-5,8-10,12,16H,6-7H2,(H,23,24)/t16-/m0/s1.
What are the key properties of (2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide?
(2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide has a molecular weight of 385.84 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide is sourced from PubChem (CID 9038377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).