2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide

C12H18N2O3S — CID 62500011

IUPAC2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide
SMILESCS(=O)(=O)CCCNC(=O)Cc1cccc(N)c1
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)7-3-6-14-12(15)9-10-4-2-5-11(13)8-10/h2,4-5,8H,3,6-7,9,13H2,1H3,(H,14,15)
InChIKeyVTCOZEGGVCUZAU-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.36
Rot. Bonds6

About 2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide

2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide (PubChem CID 62500011) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide
PubChem CID62500011
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide
SMILESCS(=O)(=O)CCCNC(=O)Cc1cccc(N)c1
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)7-3-6-14-12(15)9-10-4-2-5-11(13)8-10/h2,4-5,8H,3,6-7,9,13H2,1H3,(H,14,15)
InChIKeyVTCOZEGGVCUZAU-UHFFFAOYSA-N
XLogP0.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide
CID 55084090
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 62499698
2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide
CID 65349832
2-(3-aminophenyl)-N-(5-oxopentyl)acetamide
CID 59992785
2-(3-aminophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 62498674
2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62388737
1-(3-aminophenyl)-4-methylsulfonylbutan-2-one
CID 116577269
3-(chloromethyl)-N-(3-methylsulfonylpropyl)benzamide
CID 54904905
2-(3-chlorophenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62505682
3-[[2-(3-aminophenyl)acetyl]amino]-2-methylpropanoic acid
CID 65349881
N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62553117

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide (CID 62500011) is 2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide is CS(=O)(=O)CCCNC(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide?
The InChIKey is VTCOZEGGVCUZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-18(16,17)7-3-6-14-12(15)9-10-4-2-5-11(13)8-10/h2,4-5,8H,3,6-7,9,13H2,1H3,(H,14,15).
What are the key properties of 2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide?
2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide is sourced from PubChem (CID 62500011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).