2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide

C12H18N2O2S — CID 115976838

IUPAC2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide
SMILESCC(CNC(=O)Cc1ccccc1N)S(C)=O
InChIInChI=1S/C12H18N2O2S/c1-9(17(2)16)8-14-12(15)7-10-5-3-4-6-11(10)13/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyPTZIDLGSHLBVME-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.69
Rot. Bonds5

About 2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide

2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide (PubChem CID 115976838) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide
PubChem CID115976838
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide
SMILESCC(CNC(=O)Cc1ccccc1N)S(C)=O
InChIInChI=1S/C12H18N2O2S/c1-9(17(2)16)8-14-12(15)7-10-5-3-4-6-11(10)13/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyPTZIDLGSHLBVME-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.69
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

2-(2-aminophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103833107
2-(2-aminophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43498529
2-(2-aminophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43498574
2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide
CID 43574376
2-hydroxy-N-(2-methylsulfinylpropyl)benzamide
CID 115765209
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
2-(2-aminophenyl)-N-prop-2-ynylacetamide
CID 61118028
2-[[2-(2-aminophenyl)acetyl]amino]-3-methylbutanamide
CID 113315006
N-[(2-aminophenyl)methyl]-2-oxopropanamide
CID 110478407
N-[2-[(2-aminophenyl)methylamino]ethyl]-2-methylpropanamide
CID 66387835
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
CID 16773515
1-[(2-aminophenyl)methyl]-3-propan-2-ylurea
CID 4145188

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide (CID 115976838) is 2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide is CC(CNC(=O)Cc1ccccc1N)S(C)=O.
What is the InChIKey of 2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide?
The InChIKey is PTZIDLGSHLBVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(17(2)16)8-14-12(15)7-10-5-3-4-6-11(10)13/h3-6,9H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide?
2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide has a molecular weight of 254.35 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide is sourced from PubChem (CID 115976838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).