N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide

C20H18N4OS — CID 84601919

IUPACN-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide
SMILESCc1nc(SCC(=O)N(CCC#N)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H18N4OS/c1-15-22-18-11-6-5-10-17(18)20(23-15)26-14-19(25)24(13-7-12-21)16-8-3-2-4-9-16/h2-6,8-11H,7,13-14H2,1H3
InChIKeyADVJZLRHKCBLJE-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.98
Rot. Bonds6

About N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide

N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide (PubChem CID 84601919) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide
PubChem CID84601919
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide
SMILESCc1nc(SCC(=O)N(CCC#N)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H18N4OS/c1-15-22-18-11-6-5-10-17(18)20(23-15)26-14-19(25)24(13-7-12-21)16-8-3-2-4-9-16/h2-6,8-11H,7,13-14H2,1H3
InChIKeyADVJZLRHKCBLJE-UHFFFAOYSA-N
XLogP3.98
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 46687618
N-(2-cyanoethyl)-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide
CID 2116332
N-(2-cyanoethyl)-N-(4-methylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2607901
N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 16579470
N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 84601738
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2161058
N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide
CID 6409017
N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 7246599
N-(2-cyanoethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-phenylacetamide
CID 2679989
N-(2-cyanoethyl)-2-[3-[2-[di(propan-2-yl)amino]ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 16541317
2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenylacetamide
CID 2095376
N-(2-cyanoethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 2419879

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide (CID 84601919) is N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide is Cc1nc(SCC(=O)N(CCC#N)c2ccccc2)c2ccccc2n1.
What is the InChIKey of N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide?
The InChIKey is ADVJZLRHKCBLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-15-22-18-11-6-5-10-17(18)20(23-15)26-14-19(25)24(13-7-12-21)16-8-3-2-4-9-16/h2-6,8-11H,7,13-14H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide?
N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide has a molecular weight of 362.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 84601919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).