N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide

C20H32N2O2S — CID 119776288

IUPACN-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccccc1SCC(C)CNC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C20H32N2O2S/c1-15(14-25-19-7-5-4-6-18(19)24-3)13-22-20(23)12-16(2)17-8-10-21-11-9-17/h4-7,15-17,21H,8-14H2,1-3H3,(H,22,23)
InChIKeyHSCUGTGZRVWXHV-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.57
Rot. Bonds9

About N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide

N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide (PubChem CID 119776288) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide
PubChem CID119776288
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC NameN-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccccc1SCC(C)CNC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C20H32N2O2S/c1-15(14-25-19-7-5-4-6-18(19)24-3)13-22-20(23)12-16(2)17-8-10-21-11-9-17/h4-7,15-17,21H,8-14H2,1-3H3,(H,22,23)
InChIKeyHSCUGTGZRVWXHV-UHFFFAOYSA-N
XLogP3.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119730501
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119776295
N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119708893
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725486
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide
CID 119776294
N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide
CID 119810004
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119776282
N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119784711
N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide
CID 119804198

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide (CID 119776288) is N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide is COc1ccccc1SCC(C)CNC(=O)CC(C)C1CCNCC1.
What is the InChIKey of N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide?
The InChIKey is HSCUGTGZRVWXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-15(14-25-19-7-5-4-6-18(19)24-3)13-22-20(23)12-16(2)17-8-10-21-11-9-17/h4-7,15-17,21H,8-14H2,1-3H3,(H,22,23).
What are the key properties of N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide?
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide has a molecular weight of 364.56 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119776288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).