N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide

C14H17N3O4S2 — CID 126479934

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCCc1nnc(NC(=O)CCS(=O)(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C14H17N3O4S2/c1-3-13-16-17-14(22-13)15-12(18)8-9-23(19,20)11-6-4-10(21-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,15,17,18)
InChIKeyNPKZQEPMAAUGCX-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.91
Rot. Bonds7

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide (PubChem CID 126479934) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide
PubChem CID126479934
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCCc1nnc(NC(=O)CCS(=O)(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C14H17N3O4S2/c1-3-13-16-17-14(22-13)15-12(18)8-9-23(19,20)11-6-4-10(21-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,15,17,18)
InChIKeyNPKZQEPMAAUGCX-UHFFFAOYSA-N
XLogP1.91
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide (CID 126479934) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide is CCc1nnc(NC(=O)CCS(=O)(=O)c2ccc(OC)cc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The InChIKey is NPKZQEPMAAUGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-3-13-16-17-14(22-13)15-12(18)8-9-23(19,20)11-6-4-10(21-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,15,17,18).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide has a molecular weight of 355.44 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 126479934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).