(3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide

C19H27NO2S — CID 139523023

IUPAC(3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide
SMILESC=C/C=C\C(=C\C=C)S(=O)(=O)NC(C)(CC)C(/C=C\C)=C/C=C
InChIInChI=1S/C19H27NO2S/c1-7-12-16-18(15-10-4)23(21,22)20-19(6,11-5)17(13-8-2)14-9-3/h7-10,12-16,20H,1-2,4,11H2,3,5-6H3/b14-9-,16-12-,17-13+,18-15-
InChIKeyHHSIYEAPBZQQJC-BFZMSCBCSA-N
MW333.50 g/mol
LogP4.58
Rot. Bonds10

About (3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide

(3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide (PubChem CID 139523023) has the molecular formula C19H27NO2S and a molecular weight of 333.50 g/mol. Its IUPAC name is (3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide.

Molecular Properties

Compound Name(3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide
PubChem CID139523023
Molecular FormulaC19H27NO2S
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name(3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide
SMILESC=C/C=C\C(=C\C=C)S(=O)(=O)NC(C)(CC)C(/C=C\C)=C/C=C
InChIInChI=1S/C19H27NO2S/c1-7-12-16-18(15-10-4)23(21,22)20-19(6,11-5)17(13-8-2)14-9-3/h7-10,12-16,20H,1-2,4,11H2,3,5-6H3/b14-9-,16-12-,17-13+,18-15-
InChIKeyHHSIYEAPBZQQJC-BFZMSCBCSA-N
XLogP4.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide?
The IUPAC name of (3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide (CID 139523023) is (3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide.
What is the SMILES notation for (3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide?
The canonical SMILES for (3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide is C=C/C=C\C(=C\C=C)S(=O)(=O)NC(C)(CC)C(/C=C\C)=C/C=C.
What is the InChIKey of (3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide?
The InChIKey is HHSIYEAPBZQQJC-BFZMSCBCSA-N. The full InChI is InChI=1S/C19H27NO2S/c1-7-12-16-18(15-10-4)23(21,22)20-19(6,11-5)17(13-8-2)14-9-3/h7-10,12-16,20H,1-2,4,11H2,3,5-6H3/b14-9-,16-12-,17-13+,18-15-.
What are the key properties of (3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide?
(3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide has a molecular weight of 333.50 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide is sourced from PubChem (CID 139523023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).