N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide

C25H29N5O5S — CID 132609303

IUPACN-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C25H29N5O5S/c1-2-22-28-21-11-7-6-10-20(21)24(32)30(22)16-23(31)26-18-12-14-19(15-13-18)36(34,35)29-25(33)27-17-8-4-3-5-9-17/h6-7,10-15,17H,2-5,8-9,16H2,1H3,(H,26,31)(H2,27,29,33)
InChIKeyPXNTUWQTFIZMTI-UHFFFAOYSA-N
MW511.60 g/mol
LogP2.92
Rot. Bonds7

About N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide

N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 132609303) has the molecular formula C25H29N5O5S and a molecular weight of 511.60 g/mol. Its IUPAC name is N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID132609303
Molecular FormulaC25H29N5O5S
Molecular Weight511.60 g/mol
Exact Mass511.19
IUPAC NameN-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C25H29N5O5S/c1-2-22-28-21-11-7-6-10-20(21)24(32)30(22)16-23(31)26-18-12-14-19(15-13-18)36(34,35)29-25(33)27-17-8-4-3-5-9-17/h6-7,10-15,17H,2-5,8-9,16H2,1H3,(H,26,31)(H2,27,29,33)
InChIKeyPXNTUWQTFIZMTI-UHFFFAOYSA-N
XLogP2.92
TPSA139.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.60
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide 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-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide (CID 132609303) is N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide is CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is PXNTUWQTFIZMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5S/c1-2-22-28-21-11-7-6-10-20(21)24(32)30(22)16-23(31)26-18-12-14-19(15-13-18)36(34,35)29-25(33)27-17-8-4-3-5-9-17/h6-7,10-15,17H,2-5,8-9,16H2,1H3,(H,26,31)(H2,27,29,33).
What are the key properties of N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 511.60 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 132609303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).