4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide

C18H17N5O3S — CID 25410473

IUPAC4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)cc1
InChIInChI=1S/C18H17N5O3S/c1-20-16(25)11-6-8-12(9-7-11)21-15(24)10-27-18-22-14-5-3-2-4-13(14)17(26)23(18)19/h2-9H,10,19H2,1H3,(H,20,25)(H,21,24)
InChIKeyVKNKGNZRIYAYRW-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.20
Rot. Bonds5

About 4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide

4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide (PubChem CID 25410473) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
PubChem CID25410473
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)cc1
InChIInChI=1S/C18H17N5O3S/c1-20-16(25)11-6-8-12(9-7-11)21-15(24)10-27-18-22-14-5-3-2-4-13(14)17(26)23(18)19/h2-9H,10,19H2,1H3,(H,20,25)(H,21,24)
InChIKeyVKNKGNZRIYAYRW-UHFFFAOYSA-N
XLogP1.20
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 53366366
4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
CID 27957508
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 53489643
4-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 27905509
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 53366375
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 53489619
4-[[2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 2417850
N-(4-acetamidophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4543308
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 163408939
N-[4-(anilinocarbamoyl)phenyl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 162653956
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 53366380

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide (CID 25410473) is 4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2N)cc1.
What is the InChIKey of 4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide?
The InChIKey is VKNKGNZRIYAYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-20-16(25)11-6-8-12(9-7-11)21-15(24)10-27-18-22-14-5-3-2-4-13(14)17(26)23(18)19/h2-9H,10,19H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide?
4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide has a molecular weight of 383.43 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 25410473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).