2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide

C13H13NO2S2 — CID 129411324

IUPAC2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide
SMILESNC(=O)C[S@@](=O)Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C13H13NO2S2/c14-13(15)9-18(16)8-10-3-5-11(6-4-10)12-2-1-7-17-12/h1-7H,8-9H2,(H2,14,15)/t18-/m0/s1
InChIKeyNDGRTFLQWFELBD-SFHVURJKSA-N
MW279.39 g/mol
LogP2.15
Rot. Bonds5

About 2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide

2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide (PubChem CID 129411324) has the molecular formula C13H13NO2S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide
PubChem CID129411324
Molecular FormulaC13H13NO2S2
Molecular Weight279.39 g/mol
Exact Mass279.04
IUPAC Name2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide
SMILESNC(=O)C[S@@](=O)Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C13H13NO2S2/c14-13(15)9-18(16)8-10-3-5-11(6-4-10)12-2-1-7-17-12/h1-7H,8-9H2,(H2,14,15)/t18-/m0/s1
InChIKeyNDGRTFLQWFELBD-SFHVURJKSA-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

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Related Compounds

2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 129411314
2-[(R)-(4-phenylphenyl)methylsulfinyl]acetamide
CID 129364182
2-[(2-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 11623289
2-[(S)-(2-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 124567027
4-thiophen-2-ylbenzamide;hydrochloride
CID 175969827
3,4-dihydroxy-2,5-bis[(4-thiophen-2-ylphenyl)methoxy]hexanediamide
CID 141004447
2-(4-thiophen-2-ylphenyl)acetaldehyde
CID 87498538
ethyl 2-amino-3-(4-thiophen-2-ylphenyl)propanoate;hydrochloride
CID 174360592
2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide
CID 129364825
2-[4-(chloromethyl)phenyl]thiophene
CID 21186166
2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide
CID 146105331
2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide
CID 86077591

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide?
The IUPAC name of 2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide (CID 129411324) is 2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide.
What is the SMILES notation for 2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide?
The canonical SMILES for 2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide is NC(=O)C[S@@](=O)Cc1ccc(-c2cccs2)cc1.
What is the InChIKey of 2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide?
The InChIKey is NDGRTFLQWFELBD-SFHVURJKSA-N. The full InChI is InChI=1S/C13H13NO2S2/c14-13(15)9-18(16)8-10-3-5-11(6-4-10)12-2-1-7-17-12/h1-7H,8-9H2,(H2,14,15)/t18-/m0/s1.
What are the key properties of 2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide?
2-[(S)-(4-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-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide is sourced from PubChem (CID 129411324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).