N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide

C22H29N3O4S — CID 17226854

IUPACN-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NCCCC)c1
InChIInChI=1S/C22H29N3O4S/c1-3-5-14-23-22(27)19-12-7-8-13-20(19)25-21(26)17-10-9-11-18(16-17)30(28,29)24-15-6-4-2/h7-13,16,24H,3-6,14-15H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyLBKMVEPSSUGWNZ-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.55
Rot. Bonds11

About N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide

N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 17226854) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide
PubChem CID17226854
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NCCCC)c1
InChIInChI=1S/C22H29N3O4S/c1-3-5-14-23-22(27)19-12-7-8-13-20(19)25-21(26)17-10-9-11-18(16-17)30(28,29)24-15-6-4-2/h7-13,16,24H,3-6,14-15H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyLBKMVEPSSUGWNZ-UHFFFAOYSA-N
XLogP3.55
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.55
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

N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide
CID 17226776
2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide
CID 29477109
3-(butylsulfamoyl)-N-(2,5-dimethylphenyl)benzamide
CID 17226677
N-(2-methoxyphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065384
N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17149439
N-ethyl-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 35304004
N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17149351
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 17192288
N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061947
N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 100620245

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide (CID 17226854) is N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide is CCCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NCCCC)c1.
What is the InChIKey of N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is LBKMVEPSSUGWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-3-5-14-23-22(27)19-12-7-8-13-20(19)25-21(26)17-10-9-11-18(16-17)30(28,29)24-15-6-4-2/h7-13,16,24H,3-6,14-15H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide?
N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 431.56 g/mol, XLogP of 3.55, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 17226854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).