N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

C19H15N3OS — CID 4798917

IUPACN-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2cccc(C#N)c2)nc2ccccc12
InChIInChI=1S/C19H15N3OS/c1-13-9-19(22-17-8-3-2-7-16(13)17)24-12-18(23)21-15-6-4-5-14(10-15)11-20/h2-10H,12H2,1H3,(H,21,23)
InChIKeyUPQYFSSLMXTKFJ-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.15
Rot. Bonds4

About N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 4798917) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID4798917
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2cccc(C#N)c2)nc2ccccc12
InChIInChI=1S/C19H15N3OS/c1-13-9-19(22-17-8-3-2-7-16(13)17)24-12-18(23)21-15-6-4-5-14(10-15)11-20/h2-10H,12H2,1H3,(H,21,23)
InChIKeyUPQYFSSLMXTKFJ-UHFFFAOYSA-N
XLogP4.15
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanyl-N-(3-cyanophenyl)acetamide
CID 23790391
N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide
CID 25408330
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 5034835
N-(3-cyanophenyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16531997
N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
N-(3-cyanophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7991526
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 1186716
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 112780292
methyl 2-[2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 7647415
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 4798917) is N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2cccc(C#N)c2)nc2ccccc12.
What is the InChIKey of N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is UPQYFSSLMXTKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-13-9-19(22-17-8-3-2-7-16(13)17)24-12-18(23)21-15-6-4-5-14(10-15)11-20/h2-10H,12H2,1H3,(H,21,23).
What are the key properties of N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 333.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 4798917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).