N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide

C20H31N3O3S — CID 129367856

IUPACN-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
SMILESCCS(=O)(=O)N1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C20H31N3O3S/c1-2-27(25,26)23-14-12-22(13-15-23)16-19(24)21-20(18-10-6-7-11-18)17-8-4-3-5-9-17/h3-5,8-9,18,20H,2,6-7,10-16H2,1H3,(H,21,24)/t20-/m0/s1
InChIKeyQJXLGUWPLHAPLG-FQEVSTJZSA-N
MW393.55 g/mol
LogP2.00
Rot. Bonds7

About N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide

N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide (PubChem CID 129367856) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
PubChem CID129367856
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
SMILESCCS(=O)(=O)N1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C20H31N3O3S/c1-2-27(25,26)23-14-12-22(13-15-23)16-19(24)21-20(18-10-6-7-11-18)17-8-4-3-5-9-17/h3-5,8-9,18,20H,2,6-7,10-16H2,1H3,(H,21,24)/t20-/m0/s1
InChIKeyQJXLGUWPLHAPLG-FQEVSTJZSA-N
XLogP2.00
TPSA69.72 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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60502756
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959379
1-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907923
N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 124860560
N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 98764094
(2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 125119984
1-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909069
2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 59104361
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[cyclohexyl(phenyl)methyl]acetamide;hydrochloride
CID 120773094
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
N-[(R)-cyclopentyl(phenyl)methyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
CID 97094338

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide (CID 129367856) is N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide is CCS(=O)(=O)N1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1.
What is the InChIKey of N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is QJXLGUWPLHAPLG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-2-27(25,26)23-14-12-22(13-15-23)16-19(24)21-20(18-10-6-7-11-18)17-8-4-3-5-9-17/h3-5,8-9,18,20H,2,6-7,10-16H2,1H3,(H,21,24)/t20-/m0/s1.
What are the key properties of N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide?
N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 393.55 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 129367856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).