N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide

C21H26N2O2S — CID 86965606

IUPACN-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide
SMILESCOc1ccccc1N1CCCC(NC(=O)C(C)Sc2ccccc2)C1
InChIInChI=1S/C21H26N2O2S/c1-16(26-18-10-4-3-5-11-18)21(24)22-17-9-8-14-23(15-17)19-12-6-7-13-20(19)25-2/h3-7,10-13,16-17H,8-9,14-15H2,1-2H3,(H,22,24)
InChIKeyUTKCRVHRYHJBDJ-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.96
Rot. Bonds6

About N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide

N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide (PubChem CID 86965606) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide
PubChem CID86965606
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide
SMILESCOc1ccccc1N1CCCC(NC(=O)C(C)Sc2ccccc2)C1
InChIInChI=1S/C21H26N2O2S/c1-16(26-18-10-4-3-5-11-18)21(24)22-17-9-8-14-23(15-17)19-12-6-7-13-20(19)25-2/h3-7,10-13,16-17H,8-9,14-15H2,1-2H3,(H,22,24)
InChIKeyUTKCRVHRYHJBDJ-UHFFFAOYSA-N
XLogP3.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide 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-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 110015870
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
1-tert-butyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-propan-2-ylpyrazole-3-carboxamide
CID 86965624
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
2-cyclohexyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965524
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide
CID 86966315
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
3-cyclopentyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide
CID 86965679
(2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214627
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 86965648
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylpropanamide
CID 86965751
2-(3-chlorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965513

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide?
The IUPAC name of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide (CID 86965606) is N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide is COc1ccccc1N1CCCC(NC(=O)C(C)Sc2ccccc2)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide?
The InChIKey is UTKCRVHRYHJBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-16(26-18-10-4-3-5-11-18)21(24)22-17-9-8-14-23(15-17)19-12-6-7-13-20(19)25-2/h3-7,10-13,16-17H,8-9,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide?
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide has a molecular weight of 370.52 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 86965606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).