N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide

C26H28ClN3O4S — CID 126415159

IUPACN-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C26H28ClN3O4S/c1-4-5-14-28-26(32)20-8-6-7-9-22(20)29-25(31)19-12-13-21(27)24(16-19)35(33,34)30-23-15-17(2)10-11-18(23)3/h6-13,15-16,30H,4-5,14H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyQKVYOFWPVFOBBG-UHFFFAOYSA-N
MW514.05 g/mol
LogP5.54
Rot. Bonds9

About N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide

N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 126415159) has the molecular formula C26H28ClN3O4S and a molecular weight of 514.05 g/mol. Its IUPAC name is N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
PubChem CID126415159
Molecular FormulaC26H28ClN3O4S
Molecular Weight514.05 g/mol
Exact Mass513.15
IUPAC NameN-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C26H28ClN3O4S/c1-4-5-14-28-26(32)20-8-6-7-9-22(20)29-25(31)19-12-13-21(27)24(16-19)35(33,34)30-23-15-17(2)10-11-18(23)3/h6-13,15-16,30H,4-5,14H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyQKVYOFWPVFOBBG-UHFFFAOYSA-N
XLogP5.54
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.05
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 126415438
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 126413232
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4303867
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4234401
N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 25247329
N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17149351
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 126388378
N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126412486
N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 5141734
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide
CID 126387173
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide (CID 126415159) is N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide is CCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is QKVYOFWPVFOBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O4S/c1-4-5-14-28-26(32)20-8-6-7-9-22(20)29-25(31)19-12-13-21(27)24(16-19)35(33,34)30-23-15-17(2)10-11-18(23)3/h6-13,15-16,30H,4-5,14H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 514.05 g/mol, XLogP of 5.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 126415159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).