5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide

C21H22N4O6S2 — CID 10791233

IUPAC5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide
SMILESCOc1ccc(C(/C=C/c2cc(OC)c(OC)c(OC)c2)=N\c2nnc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C21H22N4O6S2/c1-28-15-8-6-14(7-9-15)16(23-20-24-25-21(32-20)33(22,26)27)10-5-13-11-17(29-2)19(31-4)18(12-13)30-3/h5-12H,1-4H3,(H2,22,26,27)/b10-5+,23-16-
InChIKeyVUEUZPHAMLAGPE-WZWXYTTRSA-N
MW490.56 g/mol
LogP3.05
Rot. Bonds9

About 5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide

5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 10791233) has the molecular formula C21H22N4O6S2 and a molecular weight of 490.56 g/mol. Its IUPAC name is 5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide
PubChem CID10791233
Molecular FormulaC21H22N4O6S2
Molecular Weight490.56 g/mol
Exact Mass490.10
IUPAC Name5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide
SMILESCOc1ccc(C(/C=C/c2cc(OC)c(OC)c(OC)c2)=N\c2nnc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C21H22N4O6S2/c1-28-15-8-6-14(7-9-15)16(23-20-24-25-21(32-20)33(22,26)27)10-5-13-11-17(29-2)19(31-4)18(12-13)30-3/h5-12H,1-4H3,(H2,22,26,27)/b10-5+,23-16-
InChIKeyVUEUZPHAMLAGPE-WZWXYTTRSA-N
XLogP3.05
TPSA135.22 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(4-nitrophenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide
CID 10837054
(NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine
CID 155813789
4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 7948325
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 10715538
(1E,4E)-1-(2-hydroxy-5-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
CID 118731497
(E)-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-one
CID 14723786
(1E,6E)-1-(3,4-dihydroxyphenyl)-7-(3,4,5-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 118722821
3-(6-methoxynaphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4815904
3-(3-chloro-4,5-dimethoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 5042284
5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175336601
(1E,6E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 73438577

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide (CID 10791233) is 5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide is COc1ccc(C(/C=C/c2cc(OC)c(OC)c(OC)c2)=N\c2nnc(S(N)(=O)=O)s2)cc1.
What is the InChIKey of 5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is VUEUZPHAMLAGPE-WZWXYTTRSA-N. The full InChI is InChI=1S/C21H22N4O6S2/c1-28-15-8-6-14(7-9-15)16(23-20-24-25-21(32-20)33(22,26)27)10-5-13-11-17(29-2)19(31-4)18(12-13)30-3/h5-12H,1-4H3,(H2,22,26,27)/b10-5+,23-16-.
What are the key properties of 5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide?
5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 490.56 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 10791233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).