1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide

C21H26N2O4S — CID 94002807

IUPAC1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCOc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O4S/c1-2-27-19-8-6-7-17(15-19)16-22-21(24)18-11-13-23(14-12-18)28(25,26)20-9-4-3-5-10-20/h3-10,15,18H,2,11-14,16H2,1H3,(H,22,24)
InChIKeyQLEJCOSJXBWXGE-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.80
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 94002807) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID94002807
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCOc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O4S/c1-2-27-19-8-6-7-17(15-19)16-22-21(24)18-11-13-23(14-12-18)28(25,26)20-9-4-3-5-10-20/h3-10,15,18H,2,11-14,16H2,1H3,(H,22,24)
InChIKeyQLEJCOSJXBWXGE-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 94108023
1-[(2-chlorophenyl)methylsulfonyl]-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 53283399
N-[(3-ethoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 53285618
1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 39508472
1-(4-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3192910
N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936
4-[(3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672581
1-(benzenesulfonyl)-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100645726
1-(benzenesulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 26444974
N-[(3-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775678
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55804539

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide (CID 94002807) is 1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide is CCOc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is QLEJCOSJXBWXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-2-27-19-8-6-7-17(15-19)16-22-21(24)18-11-13-23(14-12-18)28(25,26)20-9-4-3-5-10-20/h3-10,15,18H,2,11-14,16H2,1H3,(H,22,24).
What are the key properties of 1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 94002807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).