3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

C14H12N4O3S3 — CID 60615636

IUPAC3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2nncs2)cc1
InChIInChI=1S/C14H12N4O3S3/c1-9-2-4-10(5-3-9)18-24(20,21)11-6-7-22-12(11)13(19)16-14-17-15-8-23-14/h2-8,18H,1H3,(H,16,17,19)
InChIKeySTHFNWRIYNQFRW-UHFFFAOYSA-N
MW380.48 g/mol
LogP2.96
Rot. Bonds5

About 3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 60615636) has the molecular formula C14H12N4O3S3 and a molecular weight of 380.48 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID60615636
Molecular FormulaC14H12N4O3S3
Molecular Weight380.48 g/mol
Exact Mass380.01
IUPAC Name3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2nncs2)cc1
InChIInChI=1S/C14H12N4O3S3/c1-9-2-4-10(5-3-9)18-24(20,21)11-6-7-22-12(11)13(19)16-14-17-15-8-23-14/h2-8,18H,1H3,(H,16,17,19)
InChIKeySTHFNWRIYNQFRW-UHFFFAOYSA-N
XLogP2.96
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 47143281
3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 66717288
3-[(4-methylphenyl)sulfamoyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 86876091
3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370201
N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 56576269
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369730
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 5069019
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 35743328
2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 75389570
3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide
CID 10672494

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 60615636) is 3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2nncs2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is STHFNWRIYNQFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S3/c1-9-2-4-10(5-3-9)18-24(20,21)11-6-7-22-12(11)13(19)16-14-17-15-8-23-14/h2-8,18H,1H3,(H,16,17,19).
What are the key properties of 3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 380.48 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 60615636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).