N-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide

C21H26N2O4S — CID 131923811

IUPACN-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)N2CCCC(COc3ccccc3C)C2)c1
InChIInChI=1S/C21H26N2O4S/c1-16-7-3-4-11-21(16)27-15-18-8-6-12-23(14-18)28(25,26)20-10-5-9-19(13-20)22-17(2)24/h3-5,7,9-11,13,18H,6,8,12,14-15H2,1-2H3,(H,22,24)
InChIKeyCHCYCWQUZKNTGP-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.43
Rot. Bonds6

About N-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide

N-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 131923811) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID131923811
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)N2CCCC(COc3ccccc3C)C2)c1
InChIInChI=1S/C21H26N2O4S/c1-16-7-3-4-11-21(16)27-15-18-8-6-12-23(14-18)28(25,26)20-10-5-9-19(13-20)22-17(2)24/h3-5,7,9-11,13,18H,6,8,12,14-15H2,1-2H3,(H,22,24)
InChIKeyCHCYCWQUZKNTGP-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide
CID 131907172
N-[3-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 42101555
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-methylphenoxy)propanamide
CID 9449724
3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 110410538
3-[(2-methylphenoxy)methyl]-1-propylsulfonylpiperidine
CID 110638480
(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 38764457
1-(benzenesulfonyl)-3-[(3-methylphenoxy)methyl]piperidine
CID 110410609
1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410419
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334
2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 154851550
methyl 4-[(2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110411471
3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 110418161

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide (CID 131923811) is N-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1cccc(S(=O)(=O)N2CCCC(COc3ccccc3C)C2)c1.
What is the InChIKey of N-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is CHCYCWQUZKNTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-7-3-4-11-21(16)27-15-18-8-6-12-23(14-18)28(25,26)20-10-5-9-19(13-20)22-17(2)24/h3-5,7,9-11,13,18H,6,8,12,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 131923811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).