2-(butanoylamino)-5-phenylthiophene-3-carboxamide

C15H16N2O2S — CID 16857880

IUPAC2-(butanoylamino)-5-phenylthiophene-3-carboxamide
SMILESCCCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O
InChIInChI=1S/C15H16N2O2S/c1-2-6-13(18)17-15-11(14(16)19)9-12(20-15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H2,16,19)(H,17,18)
InChIKeyDBOLHGXQGCGQTA-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.25
Rot. Bonds5

About 2-(butanoylamino)-5-phenylthiophene-3-carboxamide

2-(butanoylamino)-5-phenylthiophene-3-carboxamide (PubChem CID 16857880) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(butanoylamino)-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(butanoylamino)-5-phenylthiophene-3-carboxamide
PubChem CID16857880
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(butanoylamino)-5-phenylthiophene-3-carboxamide
SMILESCCCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O
InChIInChI=1S/C15H16N2O2S/c1-2-6-13(18)17-15-11(14(16)19)9-12(20-15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H2,16,19)(H,17,18)
InChIKeyDBOLHGXQGCGQTA-UHFFFAOYSA-N
XLogP3.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-(butanoylamino)-5-phenylthiophene-3-carboxamide (CID 16857880) is 2-(butanoylamino)-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-(butanoylamino)-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-(butanoylamino)-5-phenylthiophene-3-carboxamide is CCCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O.
What is the InChIKey of 2-(butanoylamino)-5-phenylthiophene-3-carboxamide?
The InChIKey is DBOLHGXQGCGQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-6-13(18)17-15-11(14(16)19)9-12(20-15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 2-(butanoylamino)-5-phenylthiophene-3-carboxamide?
2-(butanoylamino)-5-phenylthiophene-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 16857880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).