5-acetyl-2-amino-4-phenylthiophene-3-carboxamide

C13H12N2O2S — CID 14362248

IUPAC5-acetyl-2-amino-4-phenylthiophene-3-carboxamide
SMILESCC(=O)c1sc(N)c(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C13H12N2O2S/c1-7(16)11-9(8-5-3-2-4-6-8)10(12(14)17)13(15)18-11/h2-6H,15H2,1H3,(H2,14,17)
InChIKeyNCEZQIFIZBZUNY-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.30
Rot. Bonds3

About 5-acetyl-2-amino-4-phenylthiophene-3-carboxamide

5-acetyl-2-amino-4-phenylthiophene-3-carboxamide (PubChem CID 14362248) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-acetyl-2-amino-4-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-2-amino-4-phenylthiophene-3-carboxamide
PubChem CID14362248
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name5-acetyl-2-amino-4-phenylthiophene-3-carboxamide
SMILESCC(=O)c1sc(N)c(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C13H12N2O2S/c1-7(16)11-9(8-5-3-2-4-6-8)10(12(14)17)13(15)18-11/h2-6H,15H2,1H3,(H2,14,17)
InChIKeyNCEZQIFIZBZUNY-UHFFFAOYSA-N
XLogP2.30
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

5-acetyl-2-amino-4-methylthiophene-3-carboxamide
CID 1271564
1-(3-amino-5-phenylthiophen-2-yl)ethanone
CID 2807849
2-O-ethyl 4-O-methyl 5-amino-3-phenylthiophene-2,4-dicarboxylate
CID 64891834
1-[2-amino-5-(1-methylpyrazol-3-yl)-4-phenylthiophen-3-yl]ethanone
CID 170126610
ethyl 2-acetamido-5-acetyl-4-phenylthiophene-3-carboxylate
CID 833795
ethyl 5-acetyl-2-benzamido-4-phenylthiophene-3-carboxylate
CID 1118697
ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate
CID 4290243
2-amino-N,N-diethyl-5-methyl-4-phenylthiophene-3-carboxamide
CID 82056975
1-(3-amino-1-benzothiophen-2-yl)ethanone
CID 3434239
5-acetyl-2-ethylsulfanyl-4-phenylthiophene-3-carbonitrile
CID 14119765
5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide
CID 103526621
2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid
CID 82397516

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-amino-4-phenylthiophene-3-carboxamide?
The IUPAC name of 5-acetyl-2-amino-4-phenylthiophene-3-carboxamide (CID 14362248) is 5-acetyl-2-amino-4-phenylthiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-2-amino-4-phenylthiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-2-amino-4-phenylthiophene-3-carboxamide is CC(=O)c1sc(N)c(C(N)=O)c1-c1ccccc1.
What is the InChIKey of 5-acetyl-2-amino-4-phenylthiophene-3-carboxamide?
The InChIKey is NCEZQIFIZBZUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-7(16)11-9(8-5-3-2-4-6-8)10(12(14)17)13(15)18-11/h2-6H,15H2,1H3,(H2,14,17).
What are the key properties of 5-acetyl-2-amino-4-phenylthiophene-3-carboxamide?
5-acetyl-2-amino-4-phenylthiophene-3-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-amino-4-phenylthiophene-3-carboxamide is sourced from PubChem (CID 14362248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).