2-[(5-ethylthiophene-3-carbonyl)amino]thiophene-3-carboxamide

C12H12N2O2S2 — CID 2971577

IUPAC2-[(5-ethylthiophene-3-carbonyl)amino]thiophene-3-carboxamide
SMILESCCc1cc(C(=O)Nc2sccc2C(N)=O)cs1
InChIInChI=1S/C12H12N2O2S2/c1-2-8-5-7(6-18-8)11(16)14-12-9(10(13)15)3-4-17-12/h3-6H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyNDXMPQZLNLETPT-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.72
Rot. Bonds4

About 2-[(5-ethylthiophene-3-carbonyl)amino]thiophene-3-carboxamide

2-[(5-ethylthiophene-3-carbonyl)amino]thiophene-3-carboxamide (PubChem CID 2971577) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(5-ethylthiophene-3-carbonyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(5-ethylthiophene-3-carbonyl)amino]thiophene-3-carboxamide
PubChem CID2971577
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name2-[(5-ethylthiophene-3-carbonyl)amino]thiophene-3-carboxamide
SMILESCCc1cc(C(=O)Nc2sccc2C(N)=O)cs1
InChIInChI=1S/C12H12N2O2S2/c1-2-8-5-7(6-18-8)11(16)14-12-9(10(13)15)3-4-17-12/h3-6H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyNDXMPQZLNLETPT-UHFFFAOYSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophene-3-carbonyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-[(5-ethylthiophene-3-carbonyl)amino]thiophene-3-carboxamide (CID 2971577) is 2-[(5-ethylthiophene-3-carbonyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(5-ethylthiophene-3-carbonyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(5-ethylthiophene-3-carbonyl)amino]thiophene-3-carboxamide is CCc1cc(C(=O)Nc2sccc2C(N)=O)cs1.
What is the InChIKey of 2-[(5-ethylthiophene-3-carbonyl)amino]thiophene-3-carboxamide?
The InChIKey is NDXMPQZLNLETPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-2-8-5-7(6-18-8)11(16)14-12-9(10(13)15)3-4-17-12/h3-6H,2H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 2-[(5-ethylthiophene-3-carbonyl)amino]thiophene-3-carboxamide?
2-[(5-ethylthiophene-3-carbonyl)amino]thiophene-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophene-3-carbonyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 2971577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).