N-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide

C17H18ClN3O2S — CID 7185407

IUPACN-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CSc1nc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C17H18ClN3O2S/c1-10-12(18)6-4-8-13(10)19-15(22)9-24-16-11-5-2-3-7-14(11)20-17(23)21-16/h4,6,8H,2-3,5,7,9H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyUTQNNRSLPGWIKK-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.34
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide

N-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (PubChem CID 7185407) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
PubChem CID7185407
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CSc1nc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C17H18ClN3O2S/c1-10-12(18)6-4-8-13(10)19-15(22)9-24-16-11-5-2-3-7-14(11)20-17(23)21-16/h4,6,8H,2-3,5,7,9H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyUTQNNRSLPGWIKK-UHFFFAOYSA-N
XLogP3.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 894235
2-carbamoylthio-N-(3-chloro-2-methylphenyl)acetamide
CID 671764
N-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259078
N-(4-Chlorophenyl)-2-[(2,2-dimethyl-5-phenyl-2H-imidazol-4-YL)sulfanyl]acetamide
CID 9550086
2-((5-(4-chlorophenyl)-2,2-dimethyl-2H-imidazol-4-yl)thio)-N-phenylacetamide
CID 9550266
N-(3-chloro-2-methylphenyl)-2-((1-(3-morpholinopropyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578552
N-(3-Chloro-2-methylphenyl)-2-({2-oxo-1H,2H,5H,6H,7H-cyclopenta[D]pyrimidin-4-YL}sulfanyl)acetamide
CID 7185226
N-(3,4-dichlorophenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
CID 7185523
N-(3-chloro-2-methylphenyl)-2-((1-(2-morpholinoethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032768
N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]thio]acetamide
CID 2744120
4-{[(2-Chlorophenyl)methyl]sulfanyl}-2,2-dimethyl-1,2-dihydroquinazoline
CID 9153475
4-[(4-chlorophenyl)methylsulfanyl]-2,2-dimethyl-1H-quinazoline
CID 9153495

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (CID 7185407) is N-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)[nH]c2c1CCCC2.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The InChIKey is UTQNNRSLPGWIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-10-12(18)6-4-8-13(10)19-15(22)9-24-16-11-5-2-3-7-14(11)20-17(23)21-16/h4,6,8H,2-3,5,7,9H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide has a molecular weight of 363.87 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7185407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).