N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide

C22H27N3O5S — CID 108559760

IUPACN-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(NC(=O)CNC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O5S/c1-2-30-19-8-10-20(11-9-19)31(28,29)25-14-12-18(13-15-25)24-21(26)16-23-22(27)17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyWWZRHVKQSGOHNF-UHFFFAOYSA-N
MW445.54 g/mol
LogP1.78
Rot. Bonds8

About N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide

N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide (PubChem CID 108559760) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide
PubChem CID108559760
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(NC(=O)CNC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O5S/c1-2-30-19-8-10-20(11-9-19)31(28,29)25-14-12-18(13-15-25)24-21(26)16-23-22(27)17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyWWZRHVKQSGOHNF-UHFFFAOYSA-N
XLogP1.78
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560401
methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate
CID 110823359
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560371
N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 31344259
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide
CID 24818401
1-(4-ethoxyphenyl)sulfonyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 99967818
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
CID 108561671
N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 51294911
N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide
CID 9244251
N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide
CID 108550430
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 24611994

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide (CID 108559760) is N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide is CCOc1ccc(S(=O)(=O)N2CCC(NC(=O)CNC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is WWZRHVKQSGOHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-2-30-19-8-10-20(11-9-19)31(28,29)25-14-12-18(13-15-25)24-21(26)16-23-22(27)17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide?
N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 445.54 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 108559760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).