(2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide

C13H13NO3S2 — CID 75520678

IUPAC(2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide
SMILESC[C@H](C(=O)NS(=O)(=O)c1ccsc1)c1ccccc1
InChIInChI=1S/C13H13NO3S2/c1-10(11-5-3-2-4-6-11)13(15)14-19(16,17)12-7-8-18-9-12/h2-10H,1H3,(H,14,15)/t10-/m0/s1
InChIKeyVSKCJDNDKCFOJS-JTQLQIEISA-N
MW295.38 g/mol
LogP2.36
Rot. Bonds4

About (2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide

(2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide (PubChem CID 75520678) has the molecular formula C13H13NO3S2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide
PubChem CID75520678
Molecular FormulaC13H13NO3S2
Molecular Weight295.38 g/mol
Exact Mass295.03
IUPAC Name(2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide
SMILESC[C@H](C(=O)NS(=O)(=O)c1ccsc1)c1ccccc1
InChIInChI=1S/C13H13NO3S2/c1-10(11-5-3-2-4-6-11)13(15)14-19(16,17)12-7-8-18-9-12/h2-10H,1H3,(H,14,15)/t10-/m0/s1
InChIKeyVSKCJDNDKCFOJS-JTQLQIEISA-N
XLogP2.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide?
The IUPAC name of (2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide (CID 75520678) is (2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide.
What is the SMILES notation for (2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide?
The canonical SMILES for (2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide is C[C@H](C(=O)NS(=O)(=O)c1ccsc1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide?
The InChIKey is VSKCJDNDKCFOJS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13NO3S2/c1-10(11-5-3-2-4-6-11)13(15)14-19(16,17)12-7-8-18-9-12/h2-10H,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide?
(2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide has a molecular weight of 295.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide is sourced from PubChem (CID 75520678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).