N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide

C18H14Cl2N2OS — CID 39765768

IUPACN-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide
SMILESO=C(CCSc1ccc2ccccc2n1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H14Cl2N2OS/c19-13-6-7-14(20)16(11-13)21-17(23)9-10-24-18-8-5-12-3-1-2-4-15(12)22-18/h1-8,11H,9-10H2,(H,21,23)
InChIKeyVWOGAVHAOUMEBB-UHFFFAOYSA-N
MW377.30 g/mol
LogP5.66
Rot. Bonds5

About N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide

N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide (PubChem CID 39765768) has the molecular formula C18H14Cl2N2OS and a molecular weight of 377.30 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide
PubChem CID39765768
Molecular FormulaC18H14Cl2N2OS
Molecular Weight377.30 g/mol
Exact Mass376.02
IUPAC NameN-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide
SMILESO=C(CCSc1ccc2ccccc2n1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H14Cl2N2OS/c19-13-6-7-14(20)16(11-13)21-17(23)9-10-24-18-8-5-12-3-1-2-4-15(12)22-18/h1-8,11H,9-10H2,(H,21,23)
InChIKeyVWOGAVHAOUMEBB-UHFFFAOYSA-N
XLogP5.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.30
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide
CID 39765776
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-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23804232
N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765830
CID 20843421
CID 20843421
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide (CID 39765768) is N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide is O=C(CCSc1ccc2ccccc2n1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide?
The InChIKey is VWOGAVHAOUMEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2OS/c19-13-6-7-14(20)16(11-13)21-17(23)9-10-24-18-8-5-12-3-1-2-4-15(12)22-18/h1-8,11H,9-10H2,(H,21,23).
What are the key properties of N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide?
N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide has a molecular weight of 377.30 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide is sourced from PubChem (CID 39765768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).