N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

C19H17ClN2OS — CID 39757992

IUPACN-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1cc(C)c2ccccc2n1
InChIInChI=1S/C19H17ClN2OS/c1-12-7-8-14(20)10-17(12)21-18(23)11-24-19-9-13(2)15-5-3-4-6-16(15)22-19/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyYHZHNFRTDNUVCF-UHFFFAOYSA-N
MW356.88 g/mol
LogP5.24
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 39757992) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID39757992
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1cc(C)c2ccccc2n1
InChIInChI=1S/C19H17ClN2OS/c1-12-7-8-14(20)10-17(12)21-18(23)11-24-19-9-13(2)15-5-3-4-6-16(15)22-19/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyYHZHNFRTDNUVCF-UHFFFAOYSA-N
XLogP5.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.88
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 3948917
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 18205272
N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
N-(5-chloro-2-methylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2575489
N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39765940
N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4034341
N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171471
N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 21371571

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 39757992) is N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1ccc(Cl)cc1NC(=O)CSc1cc(C)c2ccccc2n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is YHZHNFRTDNUVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS/c1-12-7-8-14(20)10-17(12)21-18(23)11-24-19-9-13(2)15-5-3-4-6-16(15)22-19/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 356.88 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 39757992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).