2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide

C21H31NO4S — CID 60586923

IUPAC2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide
SMILESCOc1ccc(C2(CNC(=O)CS(=O)(=O)C3CCCC3)CCCCC2)cc1
InChIInChI=1S/C21H31NO4S/c1-26-18-11-9-17(10-12-18)21(13-5-2-6-14-21)16-22-20(23)15-27(24,25)19-7-3-4-8-19/h9-12,19H,2-8,13-16H2,1H3,(H,22,23)
InChIKeyNSMMJZDRANSRKS-UHFFFAOYSA-N
MW393.55 g/mol
LogP3.37
Rot. Bonds7

About 2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide

2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide (PubChem CID 60586923) has the molecular formula C21H31NO4S and a molecular weight of 393.55 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide
PubChem CID60586923
Molecular FormulaC21H31NO4S
Molecular Weight393.55 g/mol
Exact Mass393.20
IUPAC Name2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide
SMILESCOc1ccc(C2(CNC(=O)CS(=O)(=O)C3CCCC3)CCCCC2)cc1
InChIInChI=1S/C21H31NO4S/c1-26-18-11-9-17(10-12-18)21(13-5-2-6-14-21)16-22-20(23)15-27(24,25)19-7-3-4-8-19/h9-12,19H,2-8,13-16H2,1H3,(H,22,23)
InChIKeyNSMMJZDRANSRKS-UHFFFAOYSA-N
XLogP3.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide
CID 71796620
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 47921881
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322
1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
CID 47875472
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
tert-butyl N-[4-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-4-oxobutyl]carbamate
CID 60587048
2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide
CID 75395672
3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
CID 91840176
(2S,5R)-5-(aminomethyl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 120789842

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide (CID 60586923) is 2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide is COc1ccc(C2(CNC(=O)CS(=O)(=O)C3CCCC3)CCCCC2)cc1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide?
The InChIKey is NSMMJZDRANSRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO4S/c1-26-18-11-9-17(10-12-18)21(13-5-2-6-14-21)16-22-20(23)15-27(24,25)19-7-3-4-8-19/h9-12,19H,2-8,13-16H2,1H3,(H,22,23).
What are the key properties of 2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide?
2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide has a molecular weight of 393.55 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 60586923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).