N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

C22H28N2O4S — CID 28564417

IUPACN-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-2-28-21-9-5-4-8-20(21)16-23-22(25)19-12-10-18(11-13-19)17-29(26,27)24-14-6-3-7-15-24/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,23,25)
InChIKeyKJNVGHQSRQFXLC-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.33
Rot. Bonds8

About N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide (PubChem CID 28564417) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
PubChem CID28564417
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-2-28-21-9-5-4-8-20(21)16-23-22(25)19-12-10-18(11-13-19)17-29(26,27)24-14-6-3-7-15-24/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,23,25)
InChIKeyKJNVGHQSRQFXLC-UHFFFAOYSA-N
XLogP3.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 28576425
N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 46778220
N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393897
1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43908767
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 53287191
N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92682536
5-(azepan-1-ylsulfonyl)-N-[(2-ethoxyphenyl)methyl]-2-methoxybenzamide
CID 30380560
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
4-(methylsulfonylmethyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8969533
N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 53285943
1-[(4-chlorophenyl)methylsulfonyl]-N-[3-(2-ethoxyphenyl)propyl]piperidine-4-carboxamide
CID 92678007

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide (CID 28564417) is N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide is CCOc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is KJNVGHQSRQFXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-2-28-21-9-5-4-8-20(21)16-23-22(25)19-12-10-18(11-13-19)17-29(26,27)24-14-6-3-7-15-24/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,23,25).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 416.54 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 28564417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).