4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide

C22H28N2O4S — CID 17248719

IUPAC4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C
InChIInChI=1S/C22H28N2O4S/c1-3-28-21-12-9-19(15-17(21)2)22(25)23-16-18-7-10-20(11-8-18)29(26,27)24-13-5-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,25)
InChIKeyKRLIVQGSUBXJSL-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.50
Rot. Bonds7

About 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide

4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide (PubChem CID 17248719) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
PubChem CID17248719
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C
InChIInChI=1S/C22H28N2O4S/c1-3-28-21-12-9-19(15-17(21)2)22(25)23-16-18-7-10-20(11-8-18)29(26,27)24-13-5-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,25)
InChIKeyKRLIVQGSUBXJSL-UHFFFAOYSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 100576325
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874698
3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
CID 55381469
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46486188
3-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]benzamide
CID 53285754
3-chloro-4-hydroxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 18116541
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55632582
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875114
3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17073769
N-[(3,4-diethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 28576425

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide?
The IUPAC name of 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide (CID 17248719) is 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide is CCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide?
The InChIKey is KRLIVQGSUBXJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-3-28-21-12-9-19(15-17(21)2)22(25)23-16-18-7-10-20(11-8-18)29(26,27)24-13-5-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,25).
What are the key properties of 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide?
4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide has a molecular weight of 416.54 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide is sourced from PubChem (CID 17248719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).