2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide

C19H30N2O5S — CID 59942467

IUPAC2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
SMILESCCS(=O)(=O)NC(C(=O)NCCc1ccc(O)c(OC)c1)C1CCCCC1
InChIInChI=1S/C19H30N2O5S/c1-3-27(24,25)21-18(15-7-5-4-6-8-15)19(23)20-12-11-14-9-10-16(22)17(13-14)26-2/h9-10,13,15,18,21-22H,3-8,11-12H2,1-2H3,(H,20,23)
InChIKeySJBWEMHIODINEB-UHFFFAOYSA-N
MW398.53 g/mol
LogP1.95
Rot. Bonds9

About 2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide

2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide (PubChem CID 59942467) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
PubChem CID59942467
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC Name2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
SMILESCCS(=O)(=O)NC(C(=O)NCCc1ccc(O)c(OC)c1)C1CCCCC1
InChIInChI=1S/C19H30N2O5S/c1-3-27(24,25)21-18(15-7-5-4-6-8-15)19(23)20-12-11-14-9-10-16(22)17(13-14)26-2/h9-10,13,15,18,21-22H,3-8,11-12H2,1-2H3,(H,20,23)
InChIKeySJBWEMHIODINEB-UHFFFAOYSA-N
XLogP1.95
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino] 2-cyclohexyl-2-(ethylsulfonylamino)acetate
CID 57128844
(2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide
CID 70144881
[(1R,3R)-1-acetyloxy-1-cyclooctyl-5-(4-hydroxy-3-methoxyphenyl)pentan-3-yl] acetate
CID 163026614
4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol
CID 62405202
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methanesulfonamido)-3,3-dimethylbutanamide
CID 97069976
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 102585862
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
CID 81396225
2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 67520120
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide (CID 59942467) is 2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide is CCS(=O)(=O)NC(C(=O)NCCc1ccc(O)c(OC)c1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide?
The InChIKey is SJBWEMHIODINEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-3-27(24,25)21-18(15-7-5-4-6-8-15)19(23)20-12-11-14-9-10-16(22)17(13-14)26-2/h9-10,13,15,18,21-22H,3-8,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide?
2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide has a molecular weight of 398.53 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 59942467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).