3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide

C13H13F3N4O4S2 — CID 17192710

IUPAC3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C13H13F3N4O4S2/c1-24-8-2-4-9(5-3-8)26(22,23)17-7-6-10(21)18-12-20-19-11(25-12)13(14,15)16/h2-5,17H,6-7H2,1H3,(H,18,20,21)
InChIKeyGDNRDEZCGPPLOS-UHFFFAOYSA-N
MW410.40 g/mol
LogP1.87
Rot. Bonds7

About 3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide

3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 17192710) has the molecular formula C13H13F3N4O4S2 and a molecular weight of 410.40 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID17192710
Molecular FormulaC13H13F3N4O4S2
Molecular Weight410.40 g/mol
Exact Mass410.03
IUPAC Name3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C13H13F3N4O4S2/c1-24-8-2-4-9(5-3-8)26(22,23)17-7-6-10(21)18-12-20-19-11(25-12)13(14,15)16/h2-5,17H,6-7H2,1H3,(H,18,20,21)
InChIKeyGDNRDEZCGPPLOS-UHFFFAOYSA-N
XLogP1.87
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 17192710) is 3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide is COc1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(C(F)(F)F)s2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is GDNRDEZCGPPLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O4S2/c1-24-8-2-4-9(5-3-8)26(22,23)17-7-6-10(21)18-12-20-19-11(25-12)13(14,15)16/h2-5,17H,6-7H2,1H3,(H,18,20,21).
What are the key properties of 3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 410.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 17192710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).