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

C18H21N3O3S — CID 7185404

IUPACN-(2-methoxy-5-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C18H21N3O3S/c1-11-7-8-15(24-2)14(9-11)19-16(22)10-25-17-12-5-3-4-6-13(12)20-18(23)21-17/h7-9H,3-6,10H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyNQWYOMZLRKLXHL-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.70
Rot. Bonds5

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

N-(2-methoxy-5-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (PubChem CID 7185404) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
PubChem CID7185404
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nc(=O)[nH]c2c1CCCC2
InChIInChI=1S/C18H21N3O3S/c1-11-7-8-15(24-2)14(9-11)19-16(22)10-25-17-12-5-3-4-6-13(12)20-18(23)21-17/h7-9H,3-6,10H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyNQWYOMZLRKLXHL-UHFFFAOYSA-N
XLogP2.70
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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CID 585384
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CID 880073
2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(m-tolyl)acetamide
CID 4535213
2-((4-(2-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-phenethylacetamide
CID 7386571
N-(2-ethoxyphenyl)-2-((1-(2-morpholinoethyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)acetamide
CID 18578688
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CID 972157
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] N-benzyl-N-phenylcarbamodithioate
CID 11224367
N-(2-Methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2342120
N-(3-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
CID 7185449
N-(5-chloro-2-methoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
CID 7185457
N-(2-ethoxyphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
CID 7185460
2-((1-(2-(dimethylamino)ethyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)-N-(2-methoxyphenyl)acetamide
CID 7588018

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (CID 7185404) is N-(2-methoxy-5-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is COc1ccc(C)cc1NC(=O)CSc1nc(=O)[nH]c2c1CCCC2.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The InChIKey is NQWYOMZLRKLXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-11-7-8-15(24-2)14(9-11)19-16(22)10-25-17-12-5-3-4-6-13(12)20-18(23)21-17/h7-9H,3-6,10H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7185404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).