2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide

C16H13N3O2S — CID 680931

IUPAC2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
SMILESNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C16H13N3O2S/c17-14(20)10-22-16-18-13-9-5-4-8-12(13)15(21)19(16)11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,20)
InChIKeyCUHQQCFNTSQCIV-UHFFFAOYSA-N
MW311.37 g/mol
LogP1.96
Rot. Bonds4

About 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide

2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide (PubChem CID 680931) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
PubChem CID680931
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
SMILESNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C16H13N3O2S/c17-14(20)10-22-16-18-13-9-5-4-8-12(13)15(21)19(16)11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,20)
InChIKeyCUHQQCFNTSQCIV-UHFFFAOYSA-N
XLogP1.96
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 30436234
2-[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2358352
2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid
CID 3480779
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
2-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2680991
2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 17401880
2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 9491410
3-(4-methylphenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 2084795
2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 50927752
2-ethoxyethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate
CID 14947183
N-(4-acetamidophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4543308
2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2632456

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide (CID 680931) is 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is CUHQQCFNTSQCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c17-14(20)10-22-16-18-13-9-5-4-8-12(13)15(21)19(16)11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,20).
What are the key properties of 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 311.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 680931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).