N-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

C17H25N3O2S — CID 119549649

IUPACN-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
SMILESNc1ccc(CCNC(=O)CSCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2S/c18-15-6-4-14(5-7-15)8-9-19-16(21)12-23-13-17(22)20-10-2-1-3-11-20/h4-7H,1-3,8-13,18H2,(H,19,21)
InChIKeyTZECEZVLRIZUJX-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.67
Rot. Bonds7

About N-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

N-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide (PubChem CID 119549649) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
PubChem CID119549649
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
SMILESNc1ccc(CCNC(=O)CSCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2S/c18-15-6-4-14(5-7-15)8-9-19-16(21)12-23-13-17(22)20-10-2-1-3-11-20/h4-7H,1-3,8-13,18H2,(H,19,21)
InChIKeyTZECEZVLRIZUJX-UHFFFAOYSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.67
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-[2-(4-aminophenyl)ethylsulfanyl]-N-propylacetamide
CID 114233387
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
CID 14367450
3-[2-(4-aminophenyl)ethylamino]-3-oxopropanoic acid
CID 110480212
N-[2-(4-aminophenyl)ethyl]-3-methyl-2-piperidin-1-ylbutanamide
CID 119548791
N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
CID 119260663
N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide
CID 113265633
N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride
CID 119548642
1-[(4-aminophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 53261396
N-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
CID 119516510
N-[(4-aminophenyl)methyl]pyrrolidine-1-carboxamide
CID 79161211
(4-aminophenyl)methyl piperidine-1-carboxylate
CID 67586124
3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide
CID 108942374

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide (CID 119549649) is N-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide is Nc1ccc(CCNC(=O)CSCC(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The InChIKey is TZECEZVLRIZUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c18-15-6-4-14(5-7-15)8-9-19-16(21)12-23-13-17(22)20-10-2-1-3-11-20/h4-7H,1-3,8-13,18H2,(H,19,21).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
N-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide has a molecular weight of 335.47 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide is sourced from PubChem (CID 119549649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).