(2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide

C26H34Cl2N2O5S — CID 70144881

IUPAC(2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide
SMILESCCS(=O)(=O)N[C@@H](C(=O)NCCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)C1CCCCC1
InChIInChI=1S/C26H34Cl2N2O5S/c1-3-36(32,33)30-25(20-7-5-4-6-8-20)26(31)29-14-13-18-10-12-23(24(16-18)34-2)35-17-19-9-11-21(27)22(28)15-19/h9-12,15-16,20,25,30H,3-8,13-14,17H2,1-2H3,(H,29,31)/t25-/m1/s1
InChIKeyIRYWDXLDJLWIID-RUZDIDTESA-N
MW557.54 g/mol
LogP5.13
Rot. Bonds12

About (2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide

(2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide (PubChem CID 70144881) has the molecular formula C26H34Cl2N2O5S and a molecular weight of 557.54 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide
PubChem CID70144881
Molecular FormulaC26H34Cl2N2O5S
Molecular Weight557.54 g/mol
Exact Mass556.16
IUPAC Name(2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide
SMILESCCS(=O)(=O)N[C@@H](C(=O)NCCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)C1CCCCC1
InChIInChI=1S/C26H34Cl2N2O5S/c1-3-36(32,33)30-25(20-7-5-4-6-8-20)26(31)29-14-13-18-10-12-23(24(16-18)34-2)35-17-19-9-11-21(27)22(28)15-19/h9-12,15-16,20,25,30H,3-8,13-14,17H2,1-2H3,(H,29,31)/t25-/m1/s1
InChIKeyIRYWDXLDJLWIID-RUZDIDTESA-N
XLogP5.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.54
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide with MolForge

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Related Compounds

2-cyclohexyl-2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 59942467
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 4719319
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
N-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide
CID 70884476
2-(3,4-dichlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-hydroxyacetamide
CID 54368713
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino] 2-cyclohexyl-2-(ethylsulfonylamino)acetate
CID 57128844
5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109193613
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942
2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 55635162
methyl (E)-4-[4-[2-[[(2S)-2-(ethylsulfonylamino)-3-methylbutanoyl]amino]ethyl]-2-methoxyphenoxy]but-2-enoate
CID 70222706
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide?
The IUPAC name of (2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide (CID 70144881) is (2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide.
What is the SMILES notation for (2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide?
The canonical SMILES for (2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide is CCS(=O)(=O)N[C@@H](C(=O)NCCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide?
The InChIKey is IRYWDXLDJLWIID-RUZDIDTESA-N. The full InChI is InChI=1S/C26H34Cl2N2O5S/c1-3-36(32,33)30-25(20-7-5-4-6-8-20)26(31)29-14-13-18-10-12-23(24(16-18)34-2)35-17-19-9-11-21(27)22(28)15-19/h9-12,15-16,20,25,30H,3-8,13-14,17H2,1-2H3,(H,29,31)/t25-/m1/s1.
What are the key properties of (2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide?
(2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide has a molecular weight of 557.54 g/mol, XLogP of 5.13, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-N-[2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)acetamide is sourced from PubChem (CID 70144881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).