4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide

C12H14N4O3S2 — CID 7576744

IUPAC4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H14N4O3S2/c1-8-11(20-16-15-8)12(17)14-7-6-9-2-4-10(5-3-9)21(13,18)19/h2-5H,6-7H2,1H3,(H,14,17)(H2,13,18,19)
InChIKeyOPRYIUGIJOBIEL-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.47
Rot. Bonds5

About 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide

4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide (PubChem CID 7576744) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
PubChem CID7576744
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC Name4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H14N4O3S2/c1-8-11(20-16-15-8)12(17)14-7-6-9-2-4-10(5-3-9)21(13,18)19/h2-5H,6-7H2,1H3,(H,14,17)(H2,13,18,19)
InChIKeyOPRYIUGIJOBIEL-UHFFFAOYSA-N
XLogP0.47
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride
CID 65199256
3-methyl-5-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 27449400
N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 51585981
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide
CID 110696130
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384826
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 16944617
2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 42571000
N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 9182267
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
2,3,5-trimethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084705
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide (CID 7576744) is 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is OPRYIUGIJOBIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c1-8-11(20-16-15-8)12(17)14-7-6-9-2-4-10(5-3-9)21(13,18)19/h2-5H,6-7H2,1H3,(H,14,17)(H2,13,18,19).
What are the key properties of 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide?
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 7576744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).