2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide

C17H16N4O2S2 — CID 53366375

IUPAC2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)c1
InChIInChI=1S/C17H16N4O2S2/c1-24-12-6-4-5-11(9-12)19-15(22)10-25-17-20-14-8-3-2-7-13(14)16(23)21(17)18/h2-9H,10,18H2,1H3,(H,19,22)
InChIKeyPFBJDAFCSGBDQA-UHFFFAOYSA-N
MW372.48 g/mol
LogP2.56
Rot. Bonds5

About 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide

2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 53366375) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
PubChem CID53366375
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC Name2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)c1
InChIInChI=1S/C17H16N4O2S2/c1-24-12-6-4-5-11(9-12)19-15(22)10-25-17-20-14-8-3-2-7-13(14)16(23)21(17)18/h2-9H,10,18H2,1H3,(H,19,22)
InChIKeyPFBJDAFCSGBDQA-UHFFFAOYSA-N
XLogP2.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide 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-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 7907181
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 53489643
2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 16504045
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 53366366
4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
CID 25410473
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 53489619
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 78762944
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 53366380
N-(3-hydroxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 864135
2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 50927263
2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 16504882
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1273453

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide (CID 53366375) is 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)c1.
What is the InChIKey of 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is PFBJDAFCSGBDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c1-24-12-6-4-5-11(9-12)19-15(22)10-25-17-20-14-8-3-2-7-13(14)16(23)21(17)18/h2-9H,10,18H2,1H3,(H,19,22).
What are the key properties of 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide?
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 372.48 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 53366375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).