N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide

C19H14ClF3N2OS — CID 39765776

IUPACN-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide
SMILESO=C(CCSc1ccc2ccccc2n1)Nc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C19H14ClF3N2OS/c20-13-6-7-14(19(21,22)23)16(11-13)24-17(26)9-10-27-18-8-5-12-3-1-2-4-15(12)25-18/h1-8,11H,9-10H2,(H,24,26)
InChIKeyXFJSMNGHZXHRMV-UHFFFAOYSA-N
MW410.85 g/mol
LogP6.03
Rot. Bonds5

About N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide

N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide (PubChem CID 39765776) has the molecular formula C19H14ClF3N2OS and a molecular weight of 410.85 g/mol. Its IUPAC name is N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide
PubChem CID39765776
Molecular FormulaC19H14ClF3N2OS
Molecular Weight410.85 g/mol
Exact Mass410.05
IUPAC NameN-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide
SMILESO=C(CCSc1ccc2ccccc2n1)Nc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C19H14ClF3N2OS/c20-13-6-7-14(19(21,22)23)16(11-13)24-17(26)9-10-27-18-8-5-12-3-1-2-4-15(12)25-18/h1-8,11H,9-10H2,(H,24,26)
InChIKeyXFJSMNGHZXHRMV-UHFFFAOYSA-N
XLogP6.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.85
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765768
N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 46302557
N-(5-chloro-2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755341
N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755226
N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765764
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
3-quinolin-2-ylsulfanylpropanoic acid
CID 661670
N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide
CID 2241315
N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765830
CID 20843421
CID 20843421
N-[5-chloro-2-(trifluoromethyl)phenyl]-3-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 46304167
N-[5-chloro-2-(trifluoromethyl)phenyl]-2-[(7,8-dimethyl-2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]acetamide
CID 53043551

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide?
The IUPAC name of N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide (CID 39765776) is N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide?
The canonical SMILES for N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide is O=C(CCSc1ccc2ccccc2n1)Nc1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide?
The InChIKey is XFJSMNGHZXHRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2OS/c20-13-6-7-14(19(21,22)23)16(11-13)24-17(26)9-10-27-18-8-5-12-3-1-2-4-15(12)25-18/h1-8,11H,9-10H2,(H,24,26).
What are the key properties of N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide?
N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide has a molecular weight of 410.85 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide is sourced from PubChem (CID 39765776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).