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

C17H18ClN3O2S — CID 73341005

IUPACN-(5-chloro-2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSC1=NC(=O)C2CCCCC2=N1
InChIInChI=1S/C17H18ClN3O2S/c1-10-6-7-11(18)8-14(10)19-15(22)9-24-17-20-13-5-3-2-4-12(13)16(23)21-17/h6-8,12H,2-5,9H2,1H3,(H,19,22)
InChIKeyLXILEQZJLNGCFQ-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.85
Rot. Bonds3

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

N-(5-chloro-2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide (PubChem CID 73341005) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide
PubChem CID73341005
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSC1=NC(=O)C2CCCCC2=N1
InChIInChI=1S/C17H18ClN3O2S/c1-10-6-7-11(18)8-14(10)19-15(22)9-24-17-20-13-5-3-2-4-12(13)16(23)21-17/h6-8,12H,2-5,9H2,1H3,(H,19,22)
InChIKeyLXILEQZJLNGCFQ-UHFFFAOYSA-N
XLogP3.85
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide
CID 73341020
N-(5-chloro-2-methylphenyl)-2-(4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl)acetamide
CID 53033322
2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-4aH-quinazolin-4-one
CID 73340999
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2708221
N-(5-chloro-2-methylphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide
CID 7877380
N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 22776748
N-(5-chloro-2-methylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8722910
N-(5-chloro-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 891795
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 7846484
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800369

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide (CID 73341005) is N-(5-chloro-2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide is Cc1ccc(Cl)cc1NC(=O)CSC1=NC(=O)C2CCCCC2=N1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is LXILEQZJLNGCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-10-6-7-11(18)8-14(10)19-15(22)9-24-17-20-13-5-3-2-4-12(13)16(23)21-17/h6-8,12H,2-5,9H2,1H3,(H,19,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide has a molecular weight of 363.87 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 73341005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).