2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide

C23H30N2O4S — CID 86954891

IUPAC2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)NCC1CCCN(C)C1c1ccc(OC)cc1
InChIInChI=1S/C23H30N2O4S/c1-4-30(27,28)21-10-6-5-9-20(21)23(26)24-16-18-8-7-15-25(2)22(18)17-11-13-19(29-3)14-12-17/h5-6,9-14,18,22H,4,7-8,15-16H2,1-3H3,(H,24,26)
InChIKeyWYLVLILMQZSMKO-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.30
Rot. Bonds7

About 2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide

2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide (PubChem CID 86954891) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide
PubChem CID86954891
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)NCC1CCCN(C)C1c1ccc(OC)cc1
InChIInChI=1S/C23H30N2O4S/c1-4-30(27,28)21-10-6-5-9-20(21)23(26)24-16-18-8-7-15-25(2)22(18)17-11-13-19(29-3)14-12-17/h5-6,9-14,18,22H,4,7-8,15-16H2,1-3H3,(H,24,26)
InChIKeyWYLVLILMQZSMKO-UHFFFAOYSA-N
XLogP3.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methylsulfinylbenzamide
CID 86958503
N-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]piperidine-4-carboxamide
CID 124687962
N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide
CID 86954895
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86955067
1-(4-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]pyrazole-3-carboxamide
CID 86954875
4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide
CID 86954989
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-pyridin-4-yloxybenzamide
CID 86954798
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide
CID 86954874
1-butyl-3-[[2-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methyl]urea
CID 75371863
4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
CID 86959916
1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111794280
3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
CID 86954890

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide?
The IUPAC name of 2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide (CID 86954891) is 2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide is CCS(=O)(=O)c1ccccc1C(=O)NCC1CCCN(C)C1c1ccc(OC)cc1.
What is the InChIKey of 2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide?
The InChIKey is WYLVLILMQZSMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-4-30(27,28)21-10-6-5-9-20(21)23(26)24-16-18-8-7-15-25(2)22(18)17-11-13-19(29-3)14-12-17/h5-6,9-14,18,22H,4,7-8,15-16H2,1-3H3,(H,24,26).
What are the key properties of 2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide?
2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide has a molecular weight of 430.57 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 86954891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).