3-phenyl-2-thiophen-3-ylpropanamide

C13H13NOS — CID 3056601

IUPAC3-phenyl-2-thiophen-3-ylpropanamide
SMILESNC(=O)C(Cc1ccccc1)c1ccsc1
InChIInChI=1S/C13H13NOS/c14-13(15)12(11-6-7-16-9-11)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H2,14,15)
InChIKeyICXBUDKIJVIGKR-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.56
Rot. Bonds4

About 3-phenyl-2-thiophen-3-ylpropanamide

3-phenyl-2-thiophen-3-ylpropanamide (PubChem CID 3056601) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-phenyl-2-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name3-phenyl-2-thiophen-3-ylpropanamide
PubChem CID3056601
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name3-phenyl-2-thiophen-3-ylpropanamide
SMILESNC(=O)C(Cc1ccccc1)c1ccsc1
InChIInChI=1S/C13H13NOS/c14-13(15)12(11-6-7-16-9-11)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H2,14,15)
InChIKeyICXBUDKIJVIGKR-UHFFFAOYSA-N
XLogP2.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-thiophen-3-ylpropanamide?
The IUPAC name of 3-phenyl-2-thiophen-3-ylpropanamide (CID 3056601) is 3-phenyl-2-thiophen-3-ylpropanamide.
What is the SMILES notation for 3-phenyl-2-thiophen-3-ylpropanamide?
The canonical SMILES for 3-phenyl-2-thiophen-3-ylpropanamide is NC(=O)C(Cc1ccccc1)c1ccsc1.
What is the InChIKey of 3-phenyl-2-thiophen-3-ylpropanamide?
The InChIKey is ICXBUDKIJVIGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c14-13(15)12(11-6-7-16-9-11)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H2,14,15).
What are the key properties of 3-phenyl-2-thiophen-3-ylpropanamide?
3-phenyl-2-thiophen-3-ylpropanamide has a molecular weight of 231.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-thiophen-3-ylpropanamide is sourced from PubChem (CID 3056601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).