ethane;ethene;(4Z)-N-hydroxy-4-[(E)-2-(propanoylamino)pent-2-enylidene]thiophene-2-carboxamide;toluene

C24H36N2O3S — CID 143296540

IUPACethane;ethene;(4Z)-N-hydroxy-4-[(E)-2-(propanoylamino)pent-2-enylidene]thiophene-2-carboxamide;toluene
SMILESC=C.CC.CC/C=C(\C=C1\C=C(C(=O)NO)SC1)NC(=O)CC.Cc1ccccc1
InChIInChI=1S/C13H18N2O3S.C7H8.C2H6.C2H4/c1-3-5-10(14-12(16)4-2)6-9-7-11(19-8-9)13(17)15-18;1-7-5-3-2-4-6-7;2*1-2/h5-7,18H,3-4,8H2,1-2H3,(H,14,16)(H,15,17);2-6H,1H3;1-2H3;1-2H2/b9-6-,10-5+;;;
InChIKeyUVLRUOJQZPGLIB-QRPKGWSWSA-N
MW432.63 g/mol
LogP5.69
Rot. Bonds5

About ethane;ethene;(4Z)-N-hydroxy-4-[(E)-2-(propanoylamino)pent-2-enylidene]thiophene-2-carboxamide;toluene

ethane;ethene;(4Z)-N-hydroxy-4-[(E)-2-(propanoylamino)pent-2-enylidene]thiophene-2-carboxamide;toluene (PubChem CID 143296540) has the molecular formula C24H36N2O3S and a molecular weight of 432.63 g/mol. Its IUPAC name is ethane;ethene;(4Z)-N-hydroxy-4-[(E)-2-(propanoylamino)pent-2-enylidene]thiophene-2-carboxamide;toluene.

Molecular Properties

Compound Nameethane;ethene;(4Z)-N-hydroxy-4-[(E)-2-(propanoylamino)pent-2-enylidene]thiophene-2-carboxamide;toluene
PubChem CID143296540
Molecular FormulaC24H36N2O3S
Molecular Weight432.63 g/mol
Exact Mass432.24
IUPAC Nameethane;ethene;(4Z)-N-hydroxy-4-[(E)-2-(propanoylamino)pent-2-enylidene]thiophene-2-carboxamide;toluene
SMILESC=C.CC.CC/C=C(\C=C1\C=C(C(=O)NO)SC1)NC(=O)CC.Cc1ccccc1
InChIInChI=1S/C13H18N2O3S.C7H8.C2H6.C2H4/c1-3-5-10(14-12(16)4-2)6-9-7-11(19-8-9)13(17)15-18;1-7-5-3-2-4-6-7;2*1-2/h5-7,18H,3-4,8H2,1-2H3,(H,14,16)(H,15,17);2-6H,1H3;1-2H3;1-2H2/b9-6-,10-5+;;;
InChIKeyUVLRUOJQZPGLIB-QRPKGWSWSA-N
XLogP5.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.63
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(4Z)-N-hydroxy-4-[(E)-2-(propanoylamino)pent-2-enylidene]thiophene-2-carboxamide;toluene?
The IUPAC name of ethane;ethene;(4Z)-N-hydroxy-4-[(E)-2-(propanoylamino)pent-2-enylidene]thiophene-2-carboxamide;toluene (CID 143296540) is ethane;ethene;(4Z)-N-hydroxy-4-[(E)-2-(propanoylamino)pent-2-enylidene]thiophene-2-carboxamide;toluene.
What is the SMILES notation for ethane;ethene;(4Z)-N-hydroxy-4-[(E)-2-(propanoylamino)pent-2-enylidene]thiophene-2-carboxamide;toluene?
The canonical SMILES for ethane;ethene;(4Z)-N-hydroxy-4-[(E)-2-(propanoylamino)pent-2-enylidene]thiophene-2-carboxamide;toluene is C=C.CC.CC/C=C(\C=C1\C=C(C(=O)NO)SC1)NC(=O)CC.Cc1ccccc1.
What is the InChIKey of ethane;ethene;(4Z)-N-hydroxy-4-[(E)-2-(propanoylamino)pent-2-enylidene]thiophene-2-carboxamide;toluene?
The InChIKey is UVLRUOJQZPGLIB-QRPKGWSWSA-N. The full InChI is InChI=1S/C13H18N2O3S.C7H8.C2H6.C2H4/c1-3-5-10(14-12(16)4-2)6-9-7-11(19-8-9)13(17)15-18;1-7-5-3-2-4-6-7;2*1-2/h5-7,18H,3-4,8H2,1-2H3,(H,14,16)(H,15,17);2-6H,1H3;1-2H3;1-2H2/b9-6-,10-5+;;;.
What are the key properties of ethane;ethene;(4Z)-N-hydroxy-4-[(E)-2-(propanoylamino)pent-2-enylidene]thiophene-2-carboxamide;toluene?
ethane;ethene;(4Z)-N-hydroxy-4-[(E)-2-(propanoylamino)pent-2-enylidene]thiophene-2-carboxamide;toluene has a molecular weight of 432.63 g/mol, XLogP of 5.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(4Z)-N-hydroxy-4-[(E)-2-(propanoylamino)pent-2-enylidene]thiophene-2-carboxamide;toluene is sourced from PubChem (CID 143296540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).