2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide

C13H13NO2S2 — CID 129411314

IUPAC2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide
SMILESNC(=O)C[S@](=O)Cc1cccc(-c2cccs2)c1
InChIInChI=1S/C13H13NO2S2/c14-13(15)9-18(16)8-10-3-1-4-11(7-10)12-5-2-6-17-12/h1-7H,8-9H2,(H2,14,15)/t18-/m1/s1
InChIKeyQXQJPOKIIFWBRL-GOSISDBHSA-N
MW279.39 g/mol
LogP2.15
Rot. Bonds5

About 2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide

2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide (PubChem CID 129411314) has the molecular formula C13H13NO2S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide
PubChem CID129411314
Molecular FormulaC13H13NO2S2
Molecular Weight279.39 g/mol
Exact Mass279.04
IUPAC Name2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide
SMILESNC(=O)C[S@](=O)Cc1cccc(-c2cccs2)c1
InChIInChI=1S/C13H13NO2S2/c14-13(15)9-18(16)8-10-3-1-4-11(7-10)12-5-2-6-17-12/h1-7H,8-9H2,(H2,14,15)/t18-/m1/s1
InChIKeyQXQJPOKIIFWBRL-GOSISDBHSA-N
XLogP2.15
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 129411324
2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide
CID 129364825
2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide
CID 86077591
(3-thiophen-2-ylphenyl)methanol
CID 7537586
2-[(2-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 11623289
2-[(S)-(2-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 124567027
2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide
CID 147101332
2-[(R)-(4-phenylphenyl)methylsulfinyl]acetamide
CID 129364182
N'-(3-thiophen-2-ylphenyl)oxamide
CID 151856111
ethyl 3-thiophen-2-ylbenzoate
CID 162653930
4-thiophen-2-ylbenzamide;hydrochloride
CID 175969827
(3-thiophen-2-ylanilino)methanol
CID 143026650

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide?
The IUPAC name of 2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide (CID 129411314) is 2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide.
What is the SMILES notation for 2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide?
The canonical SMILES for 2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide is NC(=O)C[S@](=O)Cc1cccc(-c2cccs2)c1.
What is the InChIKey of 2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide?
The InChIKey is QXQJPOKIIFWBRL-GOSISDBHSA-N. The full InChI is InChI=1S/C13H13NO2S2/c14-13(15)9-18(16)8-10-3-1-4-11(7-10)12-5-2-6-17-12/h1-7H,8-9H2,(H2,14,15)/t18-/m1/s1.
What are the key properties of 2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide?
2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide has a molecular weight of 279.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide is sourced from PubChem (CID 129411314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).