(2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide

C15H11Cl2F3N2OS — CID 7397776

IUPAC(2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESC[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H11Cl2F3N2OS/c1-8(14(23)22-13-5-2-9(16)7-21-13)24-10-3-4-12(17)11(6-10)15(18,19)20/h2-8H,1H3,(H,21,22,23)/t8-/m1/s1
InChIKeyQYCSAJVBTUGWNB-MRVPVSSYSA-N
MW395.23 g/mol
LogP5.53
Rot. Bonds4

About (2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide

(2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide (PubChem CID 7397776) has the molecular formula C15H11Cl2F3N2OS and a molecular weight of 395.23 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide
PubChem CID7397776
Molecular FormulaC15H11Cl2F3N2OS
Molecular Weight395.23 g/mol
Exact Mass393.99
IUPAC Name(2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESC[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H11Cl2F3N2OS/c1-8(14(23)22-13-5-2-9(16)7-21-13)24-10-3-4-12(17)11(6-10)15(18,19)20/h2-8H,1H3,(H,21,22,23)/t8-/m1/s1
InChIKeyQYCSAJVBTUGWNB-MRVPVSSYSA-N
XLogP5.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.23
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(5-chloro-2-pyridinyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 2536471
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide
CID 7397770
(2S)-N-(3-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 7363945
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 16514508
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 51468554
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-nitrophenyl)propanamide
CID 7397774
N-benzyl-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 16514506
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(1-cyanocyclohexyl)propanamide
CID 9288919
N-(5-chloro-2-pyridinyl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide
CID 22780809
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 7737005
(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide
CID 40663409
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 7661244

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide (CID 7397776) is (2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide is C[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of (2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The InChIKey is QYCSAJVBTUGWNB-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2OS/c1-8(14(23)22-13-5-2-9(16)7-21-13)24-10-3-4-12(17)11(6-10)15(18,19)20/h2-8H,1H3,(H,21,22,23)/t8-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide?
(2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide has a molecular weight of 395.23 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide is sourced from PubChem (CID 7397776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).