2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide

C24H32N2O5S — CID 75298781

IUPAC2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide
SMILESCCOc1cccc(C(C)NC2CCC(c3ccc(OCC(=O)NS(C)(=O)=O)cc3)C2)c1
InChIInChI=1S/C24H32N2O5S/c1-4-30-23-7-5-6-19(15-23)17(2)25-21-11-8-20(14-21)18-9-12-22(13-10-18)31-16-24(27)26-32(3,28)29/h5-7,9-10,12-13,15,17,20-21,25H,4,8,11,14,16H2,1-3H3,(H,26,27)
InChIKeyVOQFGXXRHMMMJA-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.53
Rot. Bonds10

About 2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide

2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide (PubChem CID 75298781) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide
PubChem CID75298781
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Name2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide
SMILESCCOc1cccc(C(C)NC2CCC(c3ccc(OCC(=O)NS(C)(=O)=O)cc3)C2)c1
InChIInChI=1S/C24H32N2O5S/c1-4-30-23-7-5-6-19(15-23)17(2)25-21-11-8-20(14-21)18-9-12-22(13-10-18)31-16-24(27)26-32(3,28)29/h5-7,9-10,12-13,15,17,20-21,25H,4,8,11,14,16H2,1-3H3,(H,26,27)
InChIKeyVOQFGXXRHMMMJA-UHFFFAOYSA-N
XLogP3.53
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[3-[[(1R)-1-(3-methylphenyl)ethyl]amino]cyclopentyl]phenoxy]acetic acid
CID 67296471
4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122030841
ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate
CID 139893090
2-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]-2-phenylacetic acid
CID 59617228
2-hydroxy-3-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]propanoic acid
CID 141396243
(1S)-3-(4-methylsulfonylphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 90688734
ethyl 3-[4-[3-(1-phenylethylamino)cyclopentyl]phenyl]propanoate
CID 68781218
2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 16783350
2-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]propanoyl chloride
CID 142764374
formic acid;2-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]ethanol
CID 159697222
N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64500026
[4-[(1R,3S)-3-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]cyclopentyl]cyclohexa-1,5-dien-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 163961669

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide?
The IUPAC name of 2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide (CID 75298781) is 2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide.
What is the SMILES notation for 2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide?
The canonical SMILES for 2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide is CCOc1cccc(C(C)NC2CCC(c3ccc(OCC(=O)NS(C)(=O)=O)cc3)C2)c1.
What is the InChIKey of 2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide?
The InChIKey is VOQFGXXRHMMMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-4-30-23-7-5-6-19(15-23)17(2)25-21-11-8-20(14-21)18-9-12-22(13-10-18)31-16-24(27)26-32(3,28)29/h5-7,9-10,12-13,15,17,20-21,25H,4,8,11,14,16H2,1-3H3,(H,26,27).
What are the key properties of 2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide?
2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide has a molecular weight of 460.60 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-(3-ethoxyphenyl)ethylamino]cyclopentyl]phenoxy]-N-methylsulfonylacetamide is sourced from PubChem (CID 75298781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).