2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide

C12H10N2O2S2 — CID 6245945

IUPAC2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C12H10N2O2S2/c13-11(16)9-5-7-18-12(9)14-10(15)4-3-8-2-1-6-17-8/h1-7H,(H2,13,16)(H,14,15)/b4-3+
InChIKeyQBXGRJBLJXPEFW-ONEGZZNKSA-N
MW278.36 g/mol
LogP2.56
Rot. Bonds4

About 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide

2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide (PubChem CID 6245945) has the molecular formula C12H10N2O2S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
PubChem CID6245945
Molecular FormulaC12H10N2O2S2
Molecular Weight278.36 g/mol
Exact Mass278.02
IUPAC Name2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C12H10N2O2S2/c13-11(16)9-5-7-18-12(9)14-10(15)4-3-8-2-1-6-17-8/h1-7H,(H2,13,16)(H,14,15)/b4-3+
InChIKeyQBXGRJBLJXPEFW-ONEGZZNKSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.56
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 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide (CID 6245945) is 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)/C=C/c1cccs1.
What is the InChIKey of 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide?
The InChIKey is QBXGRJBLJXPEFW-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H10N2O2S2/c13-11(16)9-5-7-18-12(9)14-10(15)4-3-8-2-1-6-17-8/h1-7H,(H2,13,16)(H,14,15)/b4-3+.
What are the key properties of 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide?
2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 6245945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).