2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide

C22H27NO4S — CID 78884993

IUPAC2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(CS(=O)(=O)C1CCCC1)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C22H27NO4S/c24-22(17-28(25,26)21-12-6-7-13-21)23-14-19-10-4-5-11-20(19)16-27-15-18-8-2-1-3-9-18/h1-5,8-11,21H,6-7,12-17H2,(H,23,24)
InChIKeyYXYILBJRHAIWLQ-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.38
Rot. Bonds9

About 2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide

2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide (PubChem CID 78884993) has the molecular formula C22H27NO4S and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
PubChem CID78884993
Molecular FormulaC22H27NO4S
Molecular Weight401.53 g/mol
Exact Mass401.17
IUPAC Name2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(CS(=O)(=O)C1CCCC1)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C22H27NO4S/c24-22(17-28(25,26)21-12-6-7-13-21)23-14-19-10-4-5-11-20(19)16-27-15-18-8-2-1-3-9-18/h1-5,8-11,21H,6-7,12-17H2,(H,23,24)
InChIKeyYXYILBJRHAIWLQ-UHFFFAOYSA-N
XLogP3.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 94125516
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119718080
3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286417
trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119719
2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55694421
2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
CID 60622067
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-sulfamoylpropanamide
CID 154868821
methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate
CID 97019366
1-cyclopentyl-2-methyl-3-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110989938
2-(N-ethylanilino)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 60512306
(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428
1-(2-hydroxyethyl)-3-[[2-(phenylmethoxymethyl)phenyl]methyl]urea
CID 110894223

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide (CID 78884993) is 2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide is O=C(CS(=O)(=O)C1CCCC1)NCc1ccccc1COCc1ccccc1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is YXYILBJRHAIWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4S/c24-22(17-28(25,26)21-12-6-7-13-21)23-14-19-10-4-5-11-20(19)16-27-15-18-8-2-1-3-9-18/h1-5,8-11,21H,6-7,12-17H2,(H,23,24).
What are the key properties of 2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 401.53 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 78884993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).