2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride

C15H24ClN3O3S — CID 119702884

IUPAC2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride
SMILESCCS(=O)(=O)N1CCC(NC(=O)Cc2ccc(N)cc2)CC1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-2-22(20,21)18-9-7-14(8-10-18)17-15(19)11-12-3-5-13(16)6-4-12;/h3-6,14H,2,7-11,16H2,1H3,(H,17,19);1H
InChIKeyJJKOBVWKZUEQSY-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.16
Rot. Bonds5

About 2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride

2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride (PubChem CID 119702884) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride
PubChem CID119702884
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride
SMILESCCS(=O)(=O)N1CCC(NC(=O)Cc2ccc(N)cc2)CC1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-2-22(20,21)18-9-7-14(8-10-18)17-15(19)11-12-3-5-13(16)6-4-12;/h3-6,14H,2,7-11,16H2,1H3,(H,17,19);1H
InChIKeyJJKOBVWKZUEQSY-UHFFFAOYSA-N
XLogP1.16
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.16
H-Bond Donors ≤ 52
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-cyclobutylacetamide
CID 62416481
2-(5-amino-2-pyridinyl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide;hydrochloride
CID 120620773
N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide
CID 110823021
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide
CID 108561311
2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride
CID 119750326
N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide
CID 110823020
ethyl 4-[[2-(4-aminophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 119738178
2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 61274504
5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60942022
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 32525222

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride (CID 119702884) is 2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride is CCS(=O)(=O)N1CCC(NC(=O)Cc2ccc(N)cc2)CC1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride?
The InChIKey is JJKOBVWKZUEQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-2-22(20,21)18-9-7-14(8-10-18)17-15(19)11-12-3-5-13(16)6-4-12;/h3-6,14H,2,7-11,16H2,1H3,(H,17,19);1H.
What are the key properties of 2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119702884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).