2-(3,4-dimethylanilino)-4-(oxomethylidene)thiophene-3-carboxamide

C14H14N2O2S — CID 176531107

IUPAC2-(3,4-dimethylanilino)-4-(oxomethylidene)thiophene-3-carboxamide
SMILESCc1ccc(NC2=C(C(N)=O)C(=C=O)CS2)cc1C
InChIInChI=1S/C14H14N2O2S/c1-8-3-4-11(5-9(8)2)16-14-12(13(15)18)10(6-17)7-19-14/h3-5,16H,7H2,1-2H3,(H2,15,18)
InChIKeyCIEJDCFCZPFSQO-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.92
Rot. Bonds3

About 2-(3,4-dimethylanilino)-4-(oxomethylidene)thiophene-3-carboxamide

2-(3,4-dimethylanilino)-4-(oxomethylidene)thiophene-3-carboxamide (PubChem CID 176531107) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-4-(oxomethylidene)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-4-(oxomethylidene)thiophene-3-carboxamide
PubChem CID176531107
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2-(3,4-dimethylanilino)-4-(oxomethylidene)thiophene-3-carboxamide
SMILESCc1ccc(NC2=C(C(N)=O)C(=C=O)CS2)cc1C
InChIInChI=1S/C14H14N2O2S/c1-8-3-4-11(5-9(8)2)16-14-12(13(15)18)10(6-17)7-19-14/h3-5,16H,7H2,1-2H3,(H2,15,18)
InChIKeyCIEJDCFCZPFSQO-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-4-(oxomethylidene)thiophene-3-carboxamide?
The IUPAC name of 2-(3,4-dimethylanilino)-4-(oxomethylidene)thiophene-3-carboxamide (CID 176531107) is 2-(3,4-dimethylanilino)-4-(oxomethylidene)thiophene-3-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-4-(oxomethylidene)thiophene-3-carboxamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-4-(oxomethylidene)thiophene-3-carboxamide is Cc1ccc(NC2=C(C(N)=O)C(=C=O)CS2)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-4-(oxomethylidene)thiophene-3-carboxamide?
The InChIKey is CIEJDCFCZPFSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-8-3-4-11(5-9(8)2)16-14-12(13(15)18)10(6-17)7-19-14/h3-5,16H,7H2,1-2H3,(H2,15,18).
What are the key properties of 2-(3,4-dimethylanilino)-4-(oxomethylidene)thiophene-3-carboxamide?
2-(3,4-dimethylanilino)-4-(oxomethylidene)thiophene-3-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-4-(oxomethylidene)thiophene-3-carboxamide is sourced from PubChem (CID 176531107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).