2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide

C22H17N3O2S — CID 136686130

IUPAC2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)[nH]1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17N3O2S/c26-20(15-28-22-23-19-14-8-7-13-18(19)21(27)24-22)25(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,23,24,27)
InChIKeyAACATGFORIYKBC-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.38
Rot. Bonds5

About 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide

2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide (PubChem CID 136686130) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide
PubChem CID136686130
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)[nH]1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17N3O2S/c26-20(15-28-22-23-19-14-8-7-13-18(19)21(27)24-22)25(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,23,24,27)
InChIKeyAACATGFORIYKBC-UHFFFAOYSA-N
XLogP4.38
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-dipropylacetamide
CID 136686194
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3H-quinazolin-4-one
CID 135415502
N-(4-hydroxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 176729757
N-(4-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135450400
N-(benzylideneamino)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135439186
2-hexylsulfanyl-3H-quinazolin-4-one
CID 135492059
2-heptylsulfanyl-3H-quinazolin-4-one
CID 135464963
2-[[5-cyano-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N,N-diphenylacetamide
CID 135464382
3-amino-2-[2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetyl]but-2-enenitrile
CID 135413956
2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]-N,N-diphenylacetamide
CID 136687474
N-(2-methoxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135518456
2-[(4-phenylphenyl)methylsulfanyl]-3H-quinazolin-4-one
CID 162676807

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide?
The IUPAC name of 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide (CID 136686130) is 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide.
What is the SMILES notation for 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide?
The canonical SMILES for 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide is O=C(CSc1nc2ccccc2c(=O)[nH]1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide?
The InChIKey is AACATGFORIYKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-20(15-28-22-23-19-14-8-7-13-18(19)21(27)24-22)25(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2,(H,23,24,27).
What are the key properties of 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide?
2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide has a molecular weight of 387.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-diphenylacetamide is sourced from PubChem (CID 136686130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).