2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride

C17H27ClN2O2S — CID 119555109

IUPAC2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
SMILESCOc1ccc(SC(C)C(=O)NCCC2CCCNC2)cc1.Cl
InChIInChI=1S/C17H26N2O2S.ClH/c1-13(22-16-7-5-15(21-2)6-8-16)17(20)19-11-9-14-4-3-10-18-12-14;/h5-8,13-14,18H,3-4,9-12H2,1-2H3,(H,19,20);1H
InChIKeyQANBYDUUYIXVLO-UHFFFAOYSA-N
MW358.94 g/mol
LogP3.10
Rot. Bonds7

About 2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride

2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride (PubChem CID 119555109) has the molecular formula C17H27ClN2O2S and a molecular weight of 358.94 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
PubChem CID119555109
Molecular FormulaC17H27ClN2O2S
Molecular Weight358.94 g/mol
Exact Mass358.15
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
SMILESCOc1ccc(SC(C)C(=O)NCCC2CCCNC2)cc1.Cl
InChIInChI=1S/C17H26N2O2S.ClH/c1-13(22-16-7-5-15(21-2)6-8-16)17(20)19-11-9-14-4-3-10-18-12-14;/h5-8,13-14,18H,3-4,9-12H2,1-2H3,(H,19,20);1H
InChIKeyQANBYDUUYIXVLO-UHFFFAOYSA-N
XLogP3.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557523
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
3-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555554
2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555477
2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555725
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119559244
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide
CID 119558164
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide
CID 119461802
2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119536771

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride (CID 119555109) is 2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride is COc1ccc(SC(C)C(=O)NCCC2CCCNC2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The InChIKey is QANBYDUUYIXVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S.ClH/c1-13(22-16-7-5-15(21-2)6-8-16)17(20)19-11-9-14-4-3-10-18-12-14;/h5-8,13-14,18H,3-4,9-12H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride has a molecular weight of 358.94 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119555109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).