N-(4-methoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide

C18H17N3O3S — CID 1148929

IUPACN-(4-methoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)cc1
InChIInChI=1S/C18H17N3O3S/c1-21-17(23)14-5-3-4-6-15(14)20-18(21)25-11-16(22)19-12-7-9-13(24-2)10-8-12/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyUCLIUAZCWHRPAB-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.67
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide

N-(4-methoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 1148929) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID1148929
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(4-methoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)cc1
InChIInChI=1S/C18H17N3O3S/c1-21-17(23)14-5-3-4-6-15(14)20-18(21)25-11-16(22)19-12-7-9-13(24-2)10-8-12/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyUCLIUAZCWHRPAB-UHFFFAOYSA-N
XLogP2.67
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 1148929) is N-(4-methoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is UCLIUAZCWHRPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-21-17(23)14-5-3-4-6-15(14)20-18(21)25-11-16(22)19-12-7-9-13(24-2)10-8-12/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(4-methoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
N-(4-methoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 355.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1148929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).