N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide

C22H28N2O3S — CID 16836945

IUPACN-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
SMILESCCc1ccc(NC(=O)CC2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-3-18-9-11-19(12-10-18)23-22(25)16-20-6-4-5-15-24(20)28(26,27)21-13-7-17(2)8-14-21/h7-14,20H,3-6,15-16H2,1-2H3,(H,23,25)
InChIKeyZPHNOTJJWPPOIP-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.13
Rot. Bonds6

About N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide

N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide (PubChem CID 16836945) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
PubChem CID16836945
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
SMILESCCc1ccc(NC(=O)CC2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-3-18-9-11-19(12-10-18)23-22(25)16-20-6-4-5-15-24(20)28(26,27)21-13-7-17(2)8-14-21/h7-14,20H,3-6,15-16H2,1-2H3,(H,23,25)
InChIKeyZPHNOTJJWPPOIP-UHFFFAOYSA-N
XLogP4.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetyl]amino]benzoate
CID 26562171
N-(3-chloro-4-methylphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562219
N-(4-fluorophenyl)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 42065315
N-(3-chloro-4-methoxyphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562158
methyl 4-[[2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetyl]amino]benzoate
CID 27443569
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154220
methyl 2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetate
CID 61009164
2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-phenylacetamide
CID 26562308
2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 26562223
N-[4-(dimethylamino)phenyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 42065249
2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066658

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide (CID 16836945) is N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide is CCc1ccc(NC(=O)CC2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide?
The InChIKey is ZPHNOTJJWPPOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-3-18-9-11-19(12-10-18)23-22(25)16-20-6-4-5-15-24(20)28(26,27)21-13-7-17(2)8-14-21/h7-14,20H,3-6,15-16H2,1-2H3,(H,23,25).
What are the key properties of N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide?
N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide has a molecular weight of 400.54 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide is sourced from PubChem (CID 16836945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).