N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)methanesulfonamide

C13H13N3O3S2 — CID 3653016

IUPACN-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)NN1C(=O)c2ccccc2NC1c1cccs1
InChIInChI=1S/C13H13N3O3S2/c1-21(18,19)15-16-12(11-7-4-8-20-11)14-10-6-3-2-5-9(10)13(16)17/h2-8,12,14-15H,1H3
InChIKeyOITYULKGRPWBQY-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.78
Rot. Bonds3

About N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)methanesulfonamide

N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)methanesulfonamide (PubChem CID 3653016) has the molecular formula C13H13N3O3S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)methanesulfonamide
PubChem CID3653016
Molecular FormulaC13H13N3O3S2
Molecular Weight323.40 g/mol
Exact Mass323.04
IUPAC NameN-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)NN1C(=O)c2ccccc2NC1c1cccs1
InChIInChI=1S/C13H13N3O3S2/c1-21(18,19)15-16-12(11-7-4-8-20-11)14-10-6-3-2-5-9(10)13(16)17/h2-8,12,14-15H,1H3
InChIKeyOITYULKGRPWBQY-UHFFFAOYSA-N
XLogP1.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)methanesulfonamide?
The IUPAC name of N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)methanesulfonamide (CID 3653016) is N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)methanesulfonamide?
The canonical SMILES for N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)methanesulfonamide is CS(=O)(=O)NN1C(=O)c2ccccc2NC1c1cccs1.
What is the InChIKey of N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)methanesulfonamide?
The InChIKey is OITYULKGRPWBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S2/c1-21(18,19)15-16-12(11-7-4-8-20-11)14-10-6-3-2-5-9(10)13(16)17/h2-8,12,14-15H,1H3.
What are the key properties of N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)methanesulfonamide?
N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)methanesulfonamide has a molecular weight of 323.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)methanesulfonamide is sourced from PubChem (CID 3653016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).