3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

C18H24N4O3S3 — CID 2641462

IUPAC3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)s1
InChIInChI=1S/C18H24N4O3S3/c1-3-26-18-21-20-17(27-18)19-16(23)13-8-7-11-15(12-13)28(24,25)22(2)14-9-5-4-6-10-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,19,20,23)
InChIKeyFONIXNOTGVDRNK-UHFFFAOYSA-N
MW440.62 g/mol
LogP3.86
Rot. Bonds7

About 3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2641462) has the molecular formula C18H24N4O3S3 and a molecular weight of 440.62 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2641462
Molecular FormulaC18H24N4O3S3
Molecular Weight440.62 g/mol
Exact Mass440.10
IUPAC Name3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)s1
InChIInChI=1S/C18H24N4O3S3/c1-3-26-18-21-20-17(27-18)19-16(23)13-8-7-11-15(12-13)28(24,25)22(2)14-9-5-4-6-10-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,19,20,23)
InChIKeyFONIXNOTGVDRNK-UHFFFAOYSA-N
XLogP3.86
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 53.86
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'}

Analyze 3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 17439101
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 741744
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2114843
3-[cyclohexyl(methyl)sulfamoyl]-N-ethoxybenzamide
CID 43048017
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 872286
3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100539032
3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2635787
(2S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-methylbutanoic acid
CID 9291692
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 27296965
N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 118695528
N-(6-amino-3-pyridinyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119515813

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (CID 2641462) is 3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)s1.
What is the InChIKey of 3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FONIXNOTGVDRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S3/c1-3-26-18-21-20-17(27-18)19-16(23)13-8-7-11-15(12-13)28(24,25)22(2)14-9-5-4-6-10-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,19,20,23).
What are the key properties of 3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 440.62 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)sulfamoyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2641462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).