2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide

C19H29NO4S — CID 60622067

IUPAC2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
SMILESCC(C)CCOc1ccccc1CNC(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C19H29NO4S/c1-15(2)11-12-24-18-10-6-3-7-16(18)13-20-19(21)14-25(22,23)17-8-4-5-9-17/h3,6-7,10,15,17H,4-5,8-9,11-14H2,1-2H3,(H,20,21)
InChIKeyFWBOJPLXEQNQMJ-UHFFFAOYSA-N
MW367.51 g/mol
LogP3.09
Rot. Bonds9

About 2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide

2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide (PubChem CID 60622067) has the molecular formula C19H29NO4S and a molecular weight of 367.51 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
PubChem CID60622067
Molecular FormulaC19H29NO4S
Molecular Weight367.51 g/mol
Exact Mass367.18
IUPAC Name2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
SMILESCC(C)CCOc1ccccc1CNC(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C19H29NO4S/c1-15(2)11-12-24-18-10-6-3-7-16(18)13-20-19(21)14-25(22,23)17-8-4-5-9-17/h3,6-7,10,15,17H,4-5,8-9,11-14H2,1-2H3,(H,20,21)
InChIKeyFWBOJPLXEQNQMJ-UHFFFAOYSA-N
XLogP3.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide
CID 110922264
2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
CID 119759010
2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 78884993
4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759011
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide
CID 60622145
(2S)-2-amino-3,3-dimethyl-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759025
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide
CID 60618262
(2S)-2-amino-N-[[2-(3-methylbutoxy)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119309297
3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60618232
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[[2-(3-methylbutoxy)phenyl]methyl]urea
CID 111630851
(3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide
CID 124682602
3-bromo-N-[[2-(3-methylbutoxy)phenyl]methyl]thiophene-2-carboxamide
CID 60618416

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide (CID 60622067) is 2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide is CC(C)CCOc1ccccc1CNC(=O)CS(=O)(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide?
The InChIKey is FWBOJPLXEQNQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4S/c1-15(2)11-12-24-18-10-6-3-7-16(18)13-20-19(21)14-25(22,23)17-8-4-5-9-17/h3,6-7,10,15,17H,4-5,8-9,11-14H2,1-2H3,(H,20,21).
What are the key properties of 2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide?
2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide has a molecular weight of 367.51 g/mol, XLogP of 3.09, 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-(3-methylbutoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 60622067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).