Skip to content

N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide

C18H18N4O4S — CID 135971119

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H18N4O4S/c1-11-7-8-12(27(19,25)26)9-14(11)18(24)22(2)10-16-20-15-6-4-3-5-13(15)17(23)21-16/h3-9H,10H2,1-2H3,(H2,19,25,26)(H,20,21,23)
InChIKeyNBBUFUHZTMKTBL-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.15
Rot. Bonds4

About N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide

N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide (PubChem CID 135971119) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide
PubChem CID135971119
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H18N4O4S/c1-11-7-8-12(27(19,25)26)9-14(11)18(24)22(2)10-16-20-15-6-4-3-5-13(15)17(23)21-16/h3-9H,10H2,1-2H3,(H2,19,25,26)(H,20,21,23)
InChIKeyNBBUFUHZTMKTBL-UHFFFAOYSA-N
XLogP1.15
TPSA126.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide?
The IUPAC name of N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide (CID 135971119) is N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide.
What is the SMILES notation for N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide?
The canonical SMILES for N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide?
The InChIKey is NBBUFUHZTMKTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-11-7-8-12(27(19,25)26)9-14(11)18(24)22(2)10-16-20-15-6-4-3-5-13(15)17(23)21-16/h3-9H,10H2,1-2H3,(H2,19,25,26)(H,20,21,23).
What are the key properties of N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide?
N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide has a molecular weight of 386.43 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 135971119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.