N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide

C15H16N4O3S2 — CID 137265087

IUPACN-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCN(CCNc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H16N4O3S2/c1-19(24(21,22)13-7-4-10-23-13)9-8-16-15-17-12-6-3-2-5-11(12)14(20)18-15/h2-7,10H,8-9H2,1H3,(H2,16,17,18,20)
InChIKeyFLBMHJHRGCNIDK-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.72
Rot. Bonds6

About N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide

N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide (PubChem CID 137265087) has the molecular formula C15H16N4O3S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide
PubChem CID137265087
Molecular FormulaC15H16N4O3S2
Molecular Weight364.45 g/mol
Exact Mass364.07
IUPAC NameN-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCN(CCNc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H16N4O3S2/c1-19(24(21,22)13-7-4-10-23-13)9-8-16-15-17-12-6-3-2-5-11(12)14(20)18-15/h2-7,10H,8-9H2,1H3,(H2,16,17,18,20)
InChIKeyFLBMHJHRGCNIDK-UHFFFAOYSA-N
XLogP1.72
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide 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-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide (CID 137265087) is N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide is CN(CCNc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is FLBMHJHRGCNIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S2/c1-19(24(21,22)13-7-4-10-23-13)9-8-16-15-17-12-6-3-2-5-11(12)14(20)18-15/h2-7,10H,8-9H2,1H3,(H2,16,17,18,20).
What are the key properties of N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide?
N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 364.45 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 137265087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).