3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide

C13H13NOS2 — CID 107031808

IUPAC3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide
SMILESO=C(Nc1ccsc1)C(S)Cc1ccccc1
InChIInChI=1S/C13H13NOS2/c15-13(14-11-6-7-17-9-11)12(16)8-10-4-2-1-3-5-10/h1-7,9,12,16H,8H2,(H,14,15)
InChIKeyAKRJJNXHKCJVAS-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.23
Rot. Bonds4

About 3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide

3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide (PubChem CID 107031808) has the molecular formula C13H13NOS2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide
PubChem CID107031808
Molecular FormulaC13H13NOS2
Molecular Weight263.39 g/mol
Exact Mass263.04
IUPAC Name3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide
SMILESO=C(Nc1ccsc1)C(S)Cc1ccccc1
InChIInChI=1S/C13H13NOS2/c15-13(14-11-6-7-17-9-11)12(16)8-10-4-2-1-3-5-10/h1-7,9,12,16H,8H2,(H,14,15)
InChIKeyAKRJJNXHKCJVAS-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
N-(3-fluoro-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021266
N-(1,3-benzodioxol-5-yl)-3-phenyl-2-sulfanylpropanamide
CID 107021832
3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide
CID 107025328
N-(1,3-dihydroxypropan-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031176
N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107022931
N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide
CID 107020855
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107025368
3-phenyl-2-sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 107020178
(2S)-3-phenyl-2-sulfanylpropanoic acid
CID 10154332
2-methyl-3-oxo-3-(thiophen-3-ylamino)propanoic acid
CID 114898720
N-(1-phenylpropan-2-yl)thiophen-3-amine
CID 66351654

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide?
The IUPAC name of 3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide (CID 107031808) is 3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide.
What is the SMILES notation for 3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide?
The canonical SMILES for 3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide is O=C(Nc1ccsc1)C(S)Cc1ccccc1.
What is the InChIKey of 3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide?
The InChIKey is AKRJJNXHKCJVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS2/c15-13(14-11-6-7-17-9-11)12(16)8-10-4-2-1-3-5-10/h1-7,9,12,16H,8H2,(H,14,15).
What are the key properties of 3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide?
3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide has a molecular weight of 263.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-sulfanyl-N-thiophen-3-ylpropanamide is sourced from PubChem (CID 107031808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).