4-(cyclohexylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C17H22N4O3S2 — CID 646755

IUPAC4-(cyclohexylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)s1
InChIInChI=1S/C17H22N4O3S2/c1-2-15-19-20-17(25-15)18-16(22)12-8-10-14(11-9-12)26(23,24)21-13-6-4-3-5-7-13/h8-11,13,21H,2-7H2,1H3,(H,18,20,22)
InChIKeyFFUDCAHDJPGDDO-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.96
Rot. Bonds6

About 4-(cyclohexylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

4-(cyclohexylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 646755) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-(cyclohexylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(cyclohexylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID646755
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC Name4-(cyclohexylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)s1
InChIInChI=1S/C17H22N4O3S2/c1-2-15-19-20-17(25-15)18-16(22)12-8-10-14(11-9-12)26(23,24)21-13-6-4-3-5-7-13/h8-11,13,21H,2-7H2,1H3,(H,18,20,22)
InChIKeyFFUDCAHDJPGDDO-UHFFFAOYSA-N
XLogP2.96
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(cyclohexylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 646755) is 4-(cyclohexylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(cyclohexylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(cyclohexylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)s1.
What is the InChIKey of 4-(cyclohexylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FFUDCAHDJPGDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-2-15-19-20-17(25-15)18-16(22)12-8-10-14(11-9-12)26(23,24)21-13-6-4-3-5-7-13/h8-11,13,21H,2-7H2,1H3,(H,18,20,22).
What are the key properties of 4-(cyclohexylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
4-(cyclohexylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 394.52 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 646755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).