5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide

C18H14N2O2S2 — CID 70158303

IUPAC5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C=C\c1cccs1
InChIInChI=1S/C18H14N2O2S2/c19-17(22)14-11-15(12-5-2-1-3-6-12)24-18(14)20-16(21)9-8-13-7-4-10-23-13/h1-11H,(H2,19,22)(H,20,21)/b9-8-
InChIKeyUUYWKWROLFLHFJ-HJWRWDBZSA-N
MW354.46 g/mol
LogP4.23
Rot. Bonds5

About 5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide

5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide (PubChem CID 70158303) has the molecular formula C18H14N2O2S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
PubChem CID70158303
Molecular FormulaC18H14N2O2S2
Molecular Weight354.46 g/mol
Exact Mass354.05
IUPAC Name5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C=C\c1cccs1
InChIInChI=1S/C18H14N2O2S2/c19-17(22)14-11-15(12-5-2-1-3-6-12)24-18(14)20-16(21)9-8-13-7-4-10-23-13/h1-11H,(H2,19,22)(H,20,21)/b9-8-
InChIKeyUUYWKWROLFLHFJ-HJWRWDBZSA-N
XLogP4.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide (CID 70158303) is 5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C=C\c1cccs1.
What is the InChIKey of 5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide?
The InChIKey is UUYWKWROLFLHFJ-HJWRWDBZSA-N. The full InChI is InChI=1S/C18H14N2O2S2/c19-17(22)14-11-15(12-5-2-1-3-6-12)24-18(14)20-16(21)9-8-13-7-4-10-23-13/h1-11H,(H2,19,22)(H,20,21)/b9-8-.
What are the key properties of 5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide?
5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 70158303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).