N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide

C19H30N2O5S — CID 72871700

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide
SMILESCCS(=O)(=O)N1CCCC(CCC(=O)NCc2ccc(OC)cc2OC)C1
InChIInChI=1S/C19H30N2O5S/c1-4-27(23,24)21-11-5-6-15(14-21)7-10-19(22)20-13-16-8-9-17(25-2)12-18(16)26-3/h8-9,12,15H,4-7,10-11,13-14H2,1-3H3,(H,20,22)
InChIKeyCSKCTVYRONTCHH-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.16
Rot. Bonds9

About N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide

N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide (PubChem CID 72871700) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide
PubChem CID72871700
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide
SMILESCCS(=O)(=O)N1CCCC(CCC(=O)NCc2ccc(OC)cc2OC)C1
InChIInChI=1S/C19H30N2O5S/c1-4-27(23,24)21-11-5-6-15(14-21)7-10-19(22)20-13-16-8-9-17(25-2)12-18(16)26-3/h8-9,12,15H,4-7,10-11,13-14H2,1-3H3,(H,20,22)
InChIKeyCSKCTVYRONTCHH-UHFFFAOYSA-N
XLogP2.16
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-(1-propanoylpiperidin-3-yl)propanamide
CID 72893356
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(2-hydroxyacetyl)piperidin-3-yl]propanamide
CID 72920063
3-[3-[(2,4-dimethoxyphenyl)methylamino]-3-oxopropyl]-N,N-dimethylpiperidine-1-carboxamide
CID 72864498
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 25302311
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 26326111
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45211158
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42343520
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45235401
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide
CID 42214664
3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 25280715
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 42115377
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 26336124

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide (CID 72871700) is N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide is CCS(=O)(=O)N1CCCC(CCC(=O)NCc2ccc(OC)cc2OC)C1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide?
The InChIKey is CSKCTVYRONTCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-4-27(23,24)21-11-5-6-15(14-21)7-10-19(22)20-13-16-8-9-17(25-2)12-18(16)26-3/h8-9,12,15H,4-7,10-11,13-14H2,1-3H3,(H,20,22).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide has a molecular weight of 398.53 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide is sourced from PubChem (CID 72871700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).