phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate

C13H16N4O4S2 — CID 70529698

IUPACphenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate
SMILESCCN(CC)S(=O)(=O)c1nnc(NC(=O)Oc2ccccc2)s1
InChIInChI=1S/C13H16N4O4S2/c1-3-17(4-2)23(19,20)13-16-15-11(22-13)14-12(18)21-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,14,15,18)
InChIKeyCYZPIAQRAMXUEM-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.18
Rot. Bonds6

About phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate

phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate (PubChem CID 70529698) has the molecular formula C13H16N4O4S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate
PubChem CID70529698
Molecular FormulaC13H16N4O4S2
Molecular Weight356.43 g/mol
Exact Mass356.06
IUPAC Namephenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate
SMILESCCN(CC)S(=O)(=O)c1nnc(NC(=O)Oc2ccccc2)s1
InChIInChI=1S/C13H16N4O4S2/c1-3-17(4-2)23(19,20)13-16-15-11(22-13)14-12(18)21-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,14,15,18)
InChIKeyCYZPIAQRAMXUEM-UHFFFAOYSA-N
XLogP2.18
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.18
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 phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate 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-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 22517567
N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 22517578
(2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 51435967
(2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 51460571
(2S)-N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 51460579
N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 22518170
N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 22518007
N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 22518004
N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 22518133
N-[5-[ethyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 100607019
N-[5-[methyl-(2-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 22518032
2-chloro-N-[5-[ethyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100616679

Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate?
The IUPAC name of phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate (CID 70529698) is phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate.
What is the SMILES notation for phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate?
The canonical SMILES for phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate is CCN(CC)S(=O)(=O)c1nnc(NC(=O)Oc2ccccc2)s1.
What is the InChIKey of phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate?
The InChIKey is CYZPIAQRAMXUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S2/c1-3-17(4-2)23(19,20)13-16-15-11(22-13)14-12(18)21-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,14,15,18).
What are the key properties of phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate?
phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate has a molecular weight of 356.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate is sourced from PubChem (CID 70529698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).