2-[2-amino-4-(benzenesulfinyl)phenyl]-N-phenylacetamide

C20H18N2O2S — CID 54355514

IUPAC2-[2-amino-4-(benzenesulfinyl)phenyl]-N-phenylacetamide
SMILESNc1cc(S(=O)c2ccccc2)ccc1CC(=O)Nc1ccccc1
InChIInChI=1S/C20H18N2O2S/c21-19-14-18(25(24)17-9-5-2-6-10-17)12-11-15(19)13-20(23)22-16-7-3-1-4-8-16/h1-12,14H,13,21H2,(H,22,23)
InChIKeyUIVJNPPNLKPYEW-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.62
Rot. Bonds5

About 2-[2-amino-4-(benzenesulfinyl)phenyl]-N-phenylacetamide

2-[2-amino-4-(benzenesulfinyl)phenyl]-N-phenylacetamide (PubChem CID 54355514) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-[2-amino-4-(benzenesulfinyl)phenyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-amino-4-(benzenesulfinyl)phenyl]-N-phenylacetamide
PubChem CID54355514
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name2-[2-amino-4-(benzenesulfinyl)phenyl]-N-phenylacetamide
SMILESNc1cc(S(=O)c2ccccc2)ccc1CC(=O)Nc1ccccc1
InChIInChI=1S/C20H18N2O2S/c21-19-14-18(25(24)17-9-5-2-6-10-17)12-11-15(19)13-20(23)22-16-7-3-1-4-8-16/h1-12,14H,13,21H2,(H,22,23)
InChIKeyUIVJNPPNLKPYEW-UHFFFAOYSA-N
XLogP3.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-4-(benzenesulfinyl)phenyl]-2-methylpropanamide
CID 70625096
N-[2-amino-5-(benzenesulfinyl)phenyl]propanamide
CID 21438501
2-(2,4-diaminophenyl)-N-(2-hydroxyphenyl)acetamide
CID 69335715
2-(2-aminophenyl)-N-(4-chloro-3-fluorophenyl)acetamide
CID 61466448
1-[2-amino-4-(benzenesulfinyl)phenyl]-3-(2-methoxyethyl)urea
CID 54379508
2-(2-anilino-2-oxoethyl)benzamide
CID 173153266
N-(3-aminophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80744377
2-[3-(aminomethyl)phenyl]-N-phenylacetamide
CID 154574877
2-(2-aminophenyl)-N-(3-formylphenyl)acetamide
CID 162521293
2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide
CID 16785552
N-(3-aminophenyl)-3-(benzenesulfinyl)propanamide
CID 61303387
2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide
CID 81181244

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(benzenesulfinyl)phenyl]-N-phenylacetamide?
The IUPAC name of 2-[2-amino-4-(benzenesulfinyl)phenyl]-N-phenylacetamide (CID 54355514) is 2-[2-amino-4-(benzenesulfinyl)phenyl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-amino-4-(benzenesulfinyl)phenyl]-N-phenylacetamide?
The canonical SMILES for 2-[2-amino-4-(benzenesulfinyl)phenyl]-N-phenylacetamide is Nc1cc(S(=O)c2ccccc2)ccc1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-amino-4-(benzenesulfinyl)phenyl]-N-phenylacetamide?
The InChIKey is UIVJNPPNLKPYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c21-19-14-18(25(24)17-9-5-2-6-10-17)12-11-15(19)13-20(23)22-16-7-3-1-4-8-16/h1-12,14H,13,21H2,(H,22,23).
What are the key properties of 2-[2-amino-4-(benzenesulfinyl)phenyl]-N-phenylacetamide?
2-[2-amino-4-(benzenesulfinyl)phenyl]-N-phenylacetamide has a molecular weight of 350.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(benzenesulfinyl)phenyl]-N-phenylacetamide is sourced from PubChem (CID 54355514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).