2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide

C15H24N2O3S — CID 119786192

IUPAC2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide
SMILESCCN(C(=O)Cc1ccc(N)cc1)C(C)CS(=O)(=O)CC
InChIInChI=1S/C15H24N2O3S/c1-4-17(12(3)11-21(19,20)5-2)15(18)10-13-6-8-14(16)9-7-13/h6-9,12H,4-5,10-11,16H2,1-3H3
InChIKeyWIWCANWDRZZETG-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.48
Rot. Bonds7

About 2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide

2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide (PubChem CID 119786192) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide
PubChem CID119786192
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide
SMILESCCN(C(=O)Cc1ccc(N)cc1)C(C)CS(=O)(=O)CC
InChIInChI=1S/C15H24N2O3S/c1-4-17(12(3)11-21(19,20)5-2)15(18)10-13-6-8-14(16)9-7-13/h6-9,12H,4-5,10-11,16H2,1-3H3
InChIKeyWIWCANWDRZZETG-UHFFFAOYSA-N
XLogP1.48
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119732292
2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
CID 95625333
2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119737208
2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
CID 55001222
2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide
CID 62498182
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
CID 95322200
2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride
CID 120620159
N-butan-2-yl-N-ethyl-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
CID 77001522
2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 63066283
N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-2-(methylamino)acetamide;hydrochloride
CID 119786201
2-[4-(aminomethyl)phenyl]-N-propan-2-yl-N-propylacetamide
CID 63588884
2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid
CID 136552804

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide (CID 119786192) is 2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide is CCN(C(=O)Cc1ccc(N)cc1)C(C)CS(=O)(=O)CC.
What is the InChIKey of 2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide?
The InChIKey is WIWCANWDRZZETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-17(12(3)11-21(19,20)5-2)15(18)10-13-6-8-14(16)9-7-13/h6-9,12H,4-5,10-11,16H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide?
2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide has a molecular weight of 312.43 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide is sourced from PubChem (CID 119786192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).