N-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride

C18H28ClN3O2S — CID 119440803

IUPACN-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CSCC(=O)N1CCCCC1.Cl
InChIInChI=1S/C18H27N3O2S.ClH/c1-2-19-12-15-8-4-5-9-16(15)20-17(22)13-24-14-18(23)21-10-6-3-7-11-21;/h4-5,8-9,19H,2-3,6-7,10-14H2,1H3,(H,20,22);1H
InChIKeyDAIITZJSCDVUSO-UHFFFAOYSA-N
MW385.96 g/mol
LogP2.90
Rot. Bonds8

About N-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride (PubChem CID 119440803) has the molecular formula C18H28ClN3O2S and a molecular weight of 385.96 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
PubChem CID119440803
Molecular FormulaC18H28ClN3O2S
Molecular Weight385.96 g/mol
Exact Mass385.16
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CSCC(=O)N1CCCCC1.Cl
InChIInChI=1S/C18H27N3O2S.ClH/c1-2-19-12-15-8-4-5-9-16(15)20-17(22)13-24-14-18(23)21-10-6-3-7-11-21;/h4-5,8-9,19H,2-3,6-7,10-14H2,1H3,(H,20,22);1H
InChIKeyDAIITZJSCDVUSO-UHFFFAOYSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.96
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119440673
2-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 60776430
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 119438694
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
CID 119440105
2-[2-[2-(methylaminomethyl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569724
1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119439295
N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 119440254
3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
CID 119439381
4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119439439
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119440366
1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119440143

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride (CID 119440803) is N-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride is CCNCc1ccccc1NC(=O)CSCC(=O)N1CCCCC1.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
The InChIKey is DAIITZJSCDVUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S.ClH/c1-2-19-12-15-8-4-5-9-16(15)20-17(22)13-24-14-18(23)21-10-6-3-7-11-21;/h4-5,8-9,19H,2-3,6-7,10-14H2,1H3,(H,20,22);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride has a molecular weight of 385.96 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119440803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).