N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide

C17H11ClN4OS — CID 3518128

IUPACN-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESN#Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1Cl
InChIInChI=1S/C17H11ClN4OS/c18-14-7-12(6-5-11(14)8-19)22-16(23)9-24-17-13-3-1-2-4-15(13)20-10-21-17/h1-7,10H,9H2,(H,22,23)
InChIKeyKRVBWQDIXVOTPD-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.89
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide

N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 3518128) has the molecular formula C17H11ClN4OS and a molecular weight of 354.82 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID3518128
Molecular FormulaC17H11ClN4OS
Molecular Weight354.82 g/mol
Exact Mass354.03
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESN#Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1Cl
InChIInChI=1S/C17H11ClN4OS/c18-14-7-12(6-5-11(14)8-19)22-16(23)9-24-17-13-3-1-2-4-15(13)20-10-21-17/h1-7,10H,9H2,(H,22,23)
InChIKeyKRVBWQDIXVOTPD-UHFFFAOYSA-N
XLogP3.89
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
N-[4-(cyanomethyl)phenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 8939437
4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
CID 2409976
N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362322
N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 2652585
N-(3-chloro-4-cyanophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 26683051
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 17186421
2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide
CID 16527847
N-(3-chloro-4-cyanophenyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 40510800
N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412906
N-(3-chloro-4-cyanophenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6418609
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 4187636

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide (CID 3518128) is N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide is N#Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is KRVBWQDIXVOTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4OS/c18-14-7-12(6-5-11(14)8-19)22-16(23)9-24-17-13-3-1-2-4-15(13)20-10-21-17/h1-7,10H,9H2,(H,22,23).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide?
N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 354.82 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 3518128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).