3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide

C25H30N4O4S — CID 55466640

IUPAC3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)cc1
InChIInChI=1S/C25H30N4O4S/c1-17(2)28-34(32,33)16-19-9-7-18(8-10-19)15-26-24(30)14-13-23-27-22-6-4-3-5-21(22)25(31)29(23)20-11-12-20/h3-10,17,20,28H,11-16H2,1-2H3,(H,26,30)
InChIKeyZMMWKSZVHCQOKO-UHFFFAOYSA-N
MW482.61 g/mol
LogP2.81
Rot. Bonds10

About 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide (PubChem CID 55466640) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
PubChem CID55466640
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)cc1
InChIInChI=1S/C25H30N4O4S/c1-17(2)28-34(32,33)16-19-9-7-18(8-10-19)15-26-24(30)14-13-23-27-22-6-4-3-5-21(22)25(31)29(23)20-11-12-20/h3-10,17,20,28H,11-16H2,1-2H3,(H,26,30)
InChIKeyZMMWKSZVHCQOKO-UHFFFAOYSA-N
XLogP2.81
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide (CID 55466640) is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide is CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)cc1.
What is the InChIKey of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The InChIKey is ZMMWKSZVHCQOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-17(2)28-34(32,33)16-19-9-7-18(8-10-19)15-26-24(30)14-13-23-27-22-6-4-3-5-21(22)25(31)29(23)20-11-12-20/h3-10,17,20,28H,11-16H2,1-2H3,(H,26,30).
What are the key properties of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide has a molecular weight of 482.61 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55466640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).