N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide

C19H18N2OS — CID 2423564

IUPACN-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide
SMILESCc1cc(SCC(=O)N(C)c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H18N2OS/c1-14-12-18(20-17-11-7-6-10-16(14)17)23-13-19(22)21(2)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3
InChIKeyMZPZYBZLFOOGQP-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.30
Rot. Bonds4

About N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide

N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide (PubChem CID 2423564) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide
PubChem CID2423564
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide
SMILESCc1cc(SCC(=O)N(C)c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H18N2OS/c1-14-12-18(20-17-11-7-6-10-16(14)17)23-13-19(22)21(2)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3
InChIKeyMZPZYBZLFOOGQP-UHFFFAOYSA-N
XLogP4.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide
CID 2116332
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide
CID 162689286
sodium 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 23698351
N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
CID 25337709
N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 31098743
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2161058
N-(4-fluorophenyl)-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
CID 4880236
1-(2,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylethanone
CID 4019313
N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4034341
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(4-methylquinolin-2-yl)sulfanylethanone
CID 863275
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide (CID 2423564) is N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide is Cc1cc(SCC(=O)N(C)c2ccccc2)nc2ccccc12.
What is the InChIKey of N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide?
The InChIKey is MZPZYBZLFOOGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-14-12-18(20-17-11-7-6-10-16(14)17)23-13-19(22)21(2)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide?
N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide has a molecular weight of 322.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 2423564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).