ethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene

C23H41NO2S — CID 142046519

IUPACethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene
SMILESC=C/C=C\C=C(/C=C)S(=O)(=O)N/C(C=C)=C/C=C.C=CC.CC.CC.CC
InChIInChI=1S/C14H17NO2S.C3H6.3C2H6/c1-5-9-10-12-14(8-4)18(16,17)15-13(7-3)11-6-2;1-3-2;3*1-2/h5-12,15H,1-4H2;3H,1H2,2H3;3*1-2H3/b10-9-,13-11+,14-12+;;;;
InChIKeyMESREVLPLRICLK-ISWMVRGESA-N
MW395.65 g/mol
LogP7.24
Rot. Bonds8

About ethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene

ethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene (PubChem CID 142046519) has the molecular formula C23H41NO2S and a molecular weight of 395.65 g/mol. Its IUPAC name is ethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene.

Molecular Properties

Compound Nameethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene
PubChem CID142046519
Molecular FormulaC23H41NO2S
Molecular Weight395.65 g/mol
Exact Mass395.29
IUPAC Nameethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene
SMILESC=C/C=C\C=C(/C=C)S(=O)(=O)N/C(C=C)=C/C=C.C=CC.CC.CC.CC
InChIInChI=1S/C14H17NO2S.C3H6.3C2H6/c1-5-9-10-12-14(8-4)18(16,17)15-13(7-3)11-6-2;1-3-2;3*1-2/h5-12,15H,1-4H2;3H,1H2,2H3;3*1-2H3/b10-9-,13-11+,14-12+;;;;
InChIKeyMESREVLPLRICLK-ISWMVRGESA-N
XLogP7.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.65
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorohexa-2,4-dien-3-yl)propane-1-sulfonamide
CID 123850341
(2Z,4E)-4-aminohexa-2,4-diene-1-sulfonamide
CID 89034900
(2E,4Z,6E)-6-amino-2-methylocta-2,4,6-triene-1-sulfonamide
CID 89234606
N-penta-1,3-dien-2-ylethanesulfonamide
CID 90943645
N-penta-2,4-dien-2-ylpropane-1-sulfonamide
CID 123696250
(3Z,5E)-5-[(2E,4Z)-6-aminohepta-2,4,6-trien-3-yl]sulfonylocta-1,3,5,7-tetraen-2-amine
CID 126542493
(3E,5E)-5-[(3E,5E)-6-aminohepta-1,3,5-trien-4-yl]sulfonylocta-1,3,5,7-tetraen-3-amine
CID 126759027
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]methanesulfonamide
CID 130282187
(3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide
CID 134250636
N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]propane-2-sulfonamide
CID 138617159
(3E,5Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]octa-1,3,5,7-tetraene-4-sulfonamide
CID 139472807
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraene-4-sulfonamide
CID 139472808

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene?
The IUPAC name of ethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene (CID 142046519) is ethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene.
What is the SMILES notation for ethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene?
The canonical SMILES for ethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene is C=C/C=C\C=C(/C=C)S(=O)(=O)N/C(C=C)=C/C=C.C=CC.CC.CC.CC.
What is the InChIKey of ethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene?
The InChIKey is MESREVLPLRICLK-ISWMVRGESA-N. The full InChI is InChI=1S/C14H17NO2S.C3H6.3C2H6/c1-5-9-10-12-14(8-4)18(16,17)15-13(7-3)11-6-2;1-3-2;3*1-2/h5-12,15H,1-4H2;3H,1H2,2H3;3*1-2H3/b10-9-,13-11+,14-12+;;;;.
What are the key properties of ethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene?
ethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene has a molecular weight of 395.65 g/mol, XLogP of 7.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5Z)-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraene-3-sulfonamide;prop-1-ene is sourced from PubChem (CID 142046519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).