3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide

C19H17F3N4O5S2 — CID 17193850

IUPAC3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2nnc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)s2)c1
InChIInChI=1S/C19H17F3N4O5S2/c1-30-14-4-2-3-12(11-14)17(27)23-10-9-16-24-25-18(32-16)26-33(28,29)15-7-5-13(6-8-15)31-19(20,21)22/h2-8,11H,9-10H2,1H3,(H,23,27)(H,25,26)
InChIKeyKJGAPPXBCGDHKL-UHFFFAOYSA-N
MW502.50 g/mol
LogP3.22
Rot. Bonds9

About 3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide

3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide (PubChem CID 17193850) has the molecular formula C19H17F3N4O5S2 and a molecular weight of 502.50 g/mol. Its IUPAC name is 3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
PubChem CID17193850
Molecular FormulaC19H17F3N4O5S2
Molecular Weight502.50 g/mol
Exact Mass502.06
IUPAC Name3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2nnc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)s2)c1
InChIInChI=1S/C19H17F3N4O5S2/c1-30-14-4-2-3-12(11-14)17(27)23-10-9-16-24-25-18(32-16)26-33(28,29)15-7-5-13(6-8-15)31-19(20,21)22/h2-8,11H,9-10H2,1H3,(H,23,27)(H,25,26)
InChIKeyKJGAPPXBCGDHKL-UHFFFAOYSA-N
XLogP3.22
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[5-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 17225799
N-[2-[5-[(3-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 17193496
N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 17193199
N-[2-[5-(3-chloropropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 94831015
N-[2-[5-[(4-benzamidobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 17193834
3-methoxy-N-[2-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193300
2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17193292
2-ethylsulfanyl-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17193614
N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 68653949
N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitrobenzamide
CID 17193420
3-methoxy-N-[2-[5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193532
3-methoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110400889

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide (CID 17193850) is 3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide is COc1cccc(C(=O)NCCc2nnc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)s2)c1.
What is the InChIKey of 3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide?
The InChIKey is KJGAPPXBCGDHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O5S2/c1-30-14-4-2-3-12(11-14)17(27)23-10-9-16-24-25-18(32-16)26-33(28,29)15-7-5-13(6-8-15)31-19(20,21)22/h2-8,11H,9-10H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide?
3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide has a molecular weight of 502.50 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17193850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).