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

C24H27N5O5S — CID 132609300

IUPACN-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H27N5O5S/c1-16-25-21-10-6-5-9-20(21)23(31)29(16)15-22(30)26-18-11-13-19(14-12-18)35(33,34)28-24(32)27-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,26,30)(H2,27,28,32)
InChIKeyMDVKCBDEVDFHHM-UHFFFAOYSA-N
MW497.58 g/mol
LogP2.66
Rot. Bonds6

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

N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 132609300) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID132609300
Molecular FormulaC24H27N5O5S
Molecular Weight497.58 g/mol
Exact Mass497.17
IUPAC NameN-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H27N5O5S/c1-16-25-21-10-6-5-9-20(21)23(31)29(16)15-22(30)26-18-11-13-19(14-12-18)35(33,34)28-24(32)27-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,26,30)(H2,27,28,32)
InChIKeyMDVKCBDEVDFHHM-UHFFFAOYSA-N
XLogP2.66
TPSA139.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 132609300) is N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is MDVKCBDEVDFHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5S/c1-16-25-21-10-6-5-9-20(21)23(31)29(16)15-22(30)26-18-11-13-19(14-12-18)35(33,34)28-24(32)27-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,26,30)(H2,27,28,32).
What are the key properties of N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 497.58 g/mol, XLogP of 2.66, 6 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-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 132609300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).