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

C22H25N5O5S — CID 132609302

IUPACN-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C22H25N5O5S/c1-3-4-13-23-22(30)26-33(31,32)17-11-9-16(10-12-17)25-20(28)14-27-15(2)24-19-8-6-5-7-18(19)21(27)29/h5-12H,3-4,13-14H2,1-2H3,(H,25,28)(H2,23,26,30)
InChIKeyZXBMQWSCGROWJY-UHFFFAOYSA-N
MW471.54 g/mol
LogP2.13
Rot. Bonds8

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

N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 132609302) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID132609302
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC NameN-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C22H25N5O5S/c1-3-4-13-23-22(30)26-33(31,32)17-11-9-16(10-12-17)25-20(28)14-27-15(2)24-19-8-6-5-7-18(19)21(27)29/h5-12H,3-4,13-14H2,1-2H3,(H,25,28)(H2,23,26,30)
InChIKeyZXBMQWSCGROWJY-UHFFFAOYSA-N
XLogP2.13
TPSA139.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 132609302) is N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is ZXBMQWSCGROWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-3-4-13-23-22(30)26-33(31,32)17-11-9-16(10-12-17)25-20(28)14-27-15(2)24-19-8-6-5-7-18(19)21(27)29/h5-12H,3-4,13-14H2,1-2H3,(H,25,28)(H2,23,26,30).
What are the key properties of N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 471.54 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 132609302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).