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

C14H18N4O4S2 — CID 22517567

IUPACN-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C14H18N4O4S2/c1-4-18(5-2)24(20,21)14-17-16-13(23-14)15-12(19)10-6-8-11(22-3)9-7-10/h6-9H,4-5H2,1-3H3,(H,15,16,19)
InChIKeyHFVABPHJAIFMDQ-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.83
Rot. Bonds7

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

N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide (PubChem CID 22517567) has the molecular formula C14H18N4O4S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
PubChem CID22517567
Molecular FormulaC14H18N4O4S2
Molecular Weight370.46 g/mol
Exact Mass370.08
IUPAC NameN-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C14H18N4O4S2/c1-4-18(5-2)24(20,21)14-17-16-13(23-14)15-12(19)10-6-8-11(22-3)9-7-10/h6-9H,4-5H2,1-3H3,(H,15,16,19)
InChIKeyHFVABPHJAIFMDQ-UHFFFAOYSA-N
XLogP1.83
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.83
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]-2-(4-methoxyphenoxy)acetamide
CID 22517578
N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 22518170
4-methoxy-N-[5-[methyl-(2-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 22518029
phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 70529698
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 735257
4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086863
4-methoxy-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3732616
4-chloro-N-[5-[1-(4-methoxyphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133161607
N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 22518133
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 17319604

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide (CID 22517567) is N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide is CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccc(OC)cc2)s1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide?
The InChIKey is HFVABPHJAIFMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S2/c1-4-18(5-2)24(20,21)14-17-16-13(23-14)15-12(19)10-6-8-11(22-3)9-7-10/h6-9H,4-5H2,1-3H3,(H,15,16,19).
What are the key properties of N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide?
N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide has a molecular weight of 370.46 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 22517567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).