5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide

C23H27ClN4O4S — CID 56521290

IUPAC5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3nc(CC)no3)c2)cc1
InChIInChI=1S/C23H27ClN4O4S/c1-4-6-7-16-8-10-17(11-9-16)27-33(30,31)18-12-13-20(24)19(14-18)23(29)28(3)15-22-25-21(5-2)26-32-22/h8-14,27H,4-7,15H2,1-3H3
InChIKeyBJFSGGFZGIBAFW-UHFFFAOYSA-N
MW491.01 g/mol
LogP4.70
Rot. Bonds10

About 5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide

5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide (PubChem CID 56521290) has the molecular formula C23H27ClN4O4S and a molecular weight of 491.01 g/mol. Its IUPAC name is 5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide
PubChem CID56521290
Molecular FormulaC23H27ClN4O4S
Molecular Weight491.01 g/mol
Exact Mass490.14
IUPAC Name5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3nc(CC)no3)c2)cc1
InChIInChI=1S/C23H27ClN4O4S/c1-4-6-7-16-8-10-17(11-9-16)27-33(30,31)18-12-13-20(24)19(14-18)23(29)28(3)15-22-25-21(5-2)26-32-22/h8-14,27H,4-7,15H2,1-3H3
InChIKeyBJFSGGFZGIBAFW-UHFFFAOYSA-N
XLogP4.70
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide?
The IUPAC name of 5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide (CID 56521290) is 5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide is CCCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3nc(CC)no3)c2)cc1.
What is the InChIKey of 5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide?
The InChIKey is BJFSGGFZGIBAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4S/c1-4-6-7-16-8-10-17(11-9-16)27-33(30,31)18-12-13-20(24)19(14-18)23(29)28(3)15-22-25-21(5-2)26-32-22/h8-14,27H,4-7,15H2,1-3H3.
What are the key properties of 5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide?
5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide has a molecular weight of 491.01 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 56521290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).