N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

C18H24N4O4S2 — CID 22518133

IUPACN-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILESCCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C18H24N4O4S2/c1-3-22(14-9-11-15(26-2)12-10-14)28(24,25)18-21-20-17(27-18)19-16(23)13-7-5-4-6-8-13/h9-13H,3-8H2,1-2H3,(H,19,20,23)
InChIKeyUFQMUVMJVIRZQV-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.28
Rot. Bonds7

About N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide (PubChem CID 22518133) has the molecular formula C18H24N4O4S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
PubChem CID22518133
Molecular FormulaC18H24N4O4S2
Molecular Weight424.55 g/mol
Exact Mass424.12
IUPAC NameN-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILESCCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C18H24N4O4S2/c1-3-22(14-9-11-15(26-2)12-10-14)28(24,25)18-21-20-17(27-18)19-16(23)13-7-5-4-6-8-13/h9-13H,3-8H2,1-2H3,(H,19,20,23)
InChIKeyUFQMUVMJVIRZQV-UHFFFAOYSA-N
XLogP3.28
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 22517567
(2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 51435967
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110726801
3-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921245
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
N-[5-[ethyl-(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 46271960
N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 22518145
N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 42737473
(3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 92895467
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566485

Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide (CID 22518133) is N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide is CCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1.
What is the InChIKey of N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is UFQMUVMJVIRZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S2/c1-3-22(14-9-11-15(26-2)12-10-14)28(24,25)18-21-20-17(27-18)19-16(23)13-7-5-4-6-8-13/h9-13H,3-8H2,1-2H3,(H,19,20,23).
What are the key properties of N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 22518133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).