4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide

C12H14N4O3S2 — CID 25331555

IUPAC4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C12H14N4O3S2/c1-3-8-11(20-16-14-8)12(17)13-9-6-4-5-7-10(9)15-21(2,18)19/h4-7,15H,3H2,1-2H3,(H,13,17)
InChIKeyGEIUROOOCBLQBR-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.72
Rot. Bonds5

About 4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide

4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide (PubChem CID 25331555) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide
PubChem CID25331555
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC Name4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C12H14N4O3S2/c1-3-8-11(20-16-14-8)12(17)13-9-6-4-5-7-10(9)15-21(2,18)19/h4-7,15H,3H2,1-2H3,(H,13,17)
InChIKeyGEIUROOOCBLQBR-UHFFFAOYSA-N
XLogP1.72
TPSA101.05 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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide (CID 25331555) is 4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ccccc1NS(C)(=O)=O.
What is the InChIKey of 4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide?
The InChIKey is GEIUROOOCBLQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c1-3-8-11(20-16-14-8)12(17)13-9-6-4-5-7-10(9)15-21(2,18)19/h4-7,15H,3H2,1-2H3,(H,13,17).
What are the key properties of 4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide?
4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 25331555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).