(2Z,4E)-7-methyl-N-[(2E)-2-(thiophen-2-ylmethylideneamino)penta-2,4-dienyl]octa-2,4,6-triene-4-sulfonamide

C19H24N2O2S2 — CID 144997375

IUPAC(2Z,4E)-7-methyl-N-[(2E)-2-(thiophen-2-ylmethylideneamino)penta-2,4-dienyl]octa-2,4,6-triene-4-sulfonamide
SMILESC=C/C=C(CNS(=O)(=O)C(/C=C\C)=C/C=C(C)C)/N=C/c1cccs1
InChIInChI=1S/C19H24N2O2S2/c1-5-8-17(20-15-18-10-7-13-24-18)14-21-25(22,23)19(9-6-2)12-11-16(3)4/h5-13,15,21H,1,14H2,2-4H3/b9-6-,17-8+,19-12+,20-15+
InChIKeyXUUOJCMTARDLMQ-JDFNHBEVSA-N
MW376.55 g/mol
LogP4.58
Rot. Bonds9

About (2Z,4E)-7-methyl-N-[(2E)-2-(thiophen-2-ylmethylideneamino)penta-2,4-dienyl]octa-2,4,6-triene-4-sulfonamide

(2Z,4E)-7-methyl-N-[(2E)-2-(thiophen-2-ylmethylideneamino)penta-2,4-dienyl]octa-2,4,6-triene-4-sulfonamide (PubChem CID 144997375) has the molecular formula C19H24N2O2S2 and a molecular weight of 376.55 g/mol. Its IUPAC name is (2Z,4E)-7-methyl-N-[(2E)-2-(thiophen-2-ylmethylideneamino)penta-2,4-dienyl]octa-2,4,6-triene-4-sulfonamide.

Molecular Properties

Compound Name(2Z,4E)-7-methyl-N-[(2E)-2-(thiophen-2-ylmethylideneamino)penta-2,4-dienyl]octa-2,4,6-triene-4-sulfonamide
PubChem CID144997375
Molecular FormulaC19H24N2O2S2
Molecular Weight376.55 g/mol
Exact Mass376.13
IUPAC Name(2Z,4E)-7-methyl-N-[(2E)-2-(thiophen-2-ylmethylideneamino)penta-2,4-dienyl]octa-2,4,6-triene-4-sulfonamide
SMILESC=C/C=C(CNS(=O)(=O)C(/C=C\C)=C/C=C(C)C)/N=C/c1cccs1
InChIInChI=1S/C19H24N2O2S2/c1-5-8-17(20-15-18-10-7-13-24-18)14-21-25(22,23)19(9-6-2)12-11-16(3)4/h5-13,15,21H,1,14H2,2-4H3/b9-6-,17-8+,19-12+,20-15+
InChIKeyXUUOJCMTARDLMQ-JDFNHBEVSA-N
XLogP4.58
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-7-methyl-N-[(2E)-2-(thiophen-2-ylmethylideneamino)penta-2,4-dienyl]octa-2,4,6-triene-4-sulfonamide?
The IUPAC name of (2Z,4E)-7-methyl-N-[(2E)-2-(thiophen-2-ylmethylideneamino)penta-2,4-dienyl]octa-2,4,6-triene-4-sulfonamide (CID 144997375) is (2Z,4E)-7-methyl-N-[(2E)-2-(thiophen-2-ylmethylideneamino)penta-2,4-dienyl]octa-2,4,6-triene-4-sulfonamide.
What is the SMILES notation for (2Z,4E)-7-methyl-N-[(2E)-2-(thiophen-2-ylmethylideneamino)penta-2,4-dienyl]octa-2,4,6-triene-4-sulfonamide?
The canonical SMILES for (2Z,4E)-7-methyl-N-[(2E)-2-(thiophen-2-ylmethylideneamino)penta-2,4-dienyl]octa-2,4,6-triene-4-sulfonamide is C=C/C=C(CNS(=O)(=O)C(/C=C\C)=C/C=C(C)C)/N=C/c1cccs1.
What is the InChIKey of (2Z,4E)-7-methyl-N-[(2E)-2-(thiophen-2-ylmethylideneamino)penta-2,4-dienyl]octa-2,4,6-triene-4-sulfonamide?
The InChIKey is XUUOJCMTARDLMQ-JDFNHBEVSA-N. The full InChI is InChI=1S/C19H24N2O2S2/c1-5-8-17(20-15-18-10-7-13-24-18)14-21-25(22,23)19(9-6-2)12-11-16(3)4/h5-13,15,21H,1,14H2,2-4H3/b9-6-,17-8+,19-12+,20-15+.
What are the key properties of (2Z,4E)-7-methyl-N-[(2E)-2-(thiophen-2-ylmethylideneamino)penta-2,4-dienyl]octa-2,4,6-triene-4-sulfonamide?
(2Z,4E)-7-methyl-N-[(2E)-2-(thiophen-2-ylmethylideneamino)penta-2,4-dienyl]octa-2,4,6-triene-4-sulfonamide has a molecular weight of 376.55 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-7-methyl-N-[(2E)-2-(thiophen-2-ylmethylideneamino)penta-2,4-dienyl]octa-2,4,6-triene-4-sulfonamide is sourced from PubChem (CID 144997375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).