2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide

C18H28N2O2S — CID 132760895

IUPAC2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide
SMILESCOc1ccc(SC(C)C(=O)NCCCN2CCCCC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-15(23-17-9-7-16(22-2)8-10-17)18(21)19-11-6-14-20-12-4-3-5-13-20/h7-10,15H,3-6,11-14H2,1-2H3,(H,19,21)
InChIKeyJTXFDQROGMVXFE-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.17
Rot. Bonds8

About 2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide

2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide (PubChem CID 132760895) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide
PubChem CID132760895
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide
SMILESCOc1ccc(SC(C)C(=O)NCCCN2CCCCC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-15(23-17-9-7-16(22-2)8-10-17)18(21)19-11-6-14-20-12-4-3-5-13-20/h7-10,15H,3-6,11-14H2,1-2H3,(H,19,21)
InChIKeyJTXFDQROGMVXFE-UHFFFAOYSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
CID 46772645
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 29132971
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 93488352
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 38007237
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951517
2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 132760012

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide (CID 132760895) is 2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide is COc1ccc(SC(C)C(=O)NCCCN2CCCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide?
The InChIKey is JTXFDQROGMVXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-15(23-17-9-7-16(22-2)8-10-17)18(21)19-11-6-14-20-12-4-3-5-13-20/h7-10,15H,3-6,11-14H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide?
2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide has a molecular weight of 336.50 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 132760895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).