N-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide

C24H33ClN2O6S — CID 57281523

IUPACN-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide
SMILESCCS(=O)(=O)NC(C(=O)NCCc1cccc(OCCOc2ccc(Cl)cc2)c1OC)C(C)C
InChIInChI=1S/C24H33ClN2O6S/c1-5-34(29,30)27-22(17(2)3)24(28)26-14-13-18-7-6-8-21(23(18)31-4)33-16-15-32-20-11-9-19(25)10-12-20/h6-12,17,22,27H,5,13-16H2,1-4H3,(H,26,28)
InChIKeyJFSFLZIFEWTGEO-UHFFFAOYSA-N
MW513.06 g/mol
LogP3.43
Rot. Bonds14

About N-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide

N-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide (PubChem CID 57281523) has the molecular formula C24H33ClN2O6S and a molecular weight of 513.06 g/mol. Its IUPAC name is N-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide
PubChem CID57281523
Molecular FormulaC24H33ClN2O6S
Molecular Weight513.06 g/mol
Exact Mass512.17
IUPAC NameN-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide
SMILESCCS(=O)(=O)NC(C(=O)NCCc1cccc(OCCOc2ccc(Cl)cc2)c1OC)C(C)C
InChIInChI=1S/C24H33ClN2O6S/c1-5-34(29,30)27-22(17(2)3)24(28)26-14-13-18-7-6-8-21(23(18)31-4)33-16-15-32-20-11-9-19(25)10-12-20/h6-12,17,22,27H,5,13-16H2,1-4H3,(H,26,28)
InChIKeyJFSFLZIFEWTGEO-UHFFFAOYSA-N
XLogP3.43
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.06
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylsulfamoylamino)-N-[2-[3-[2-(4-fluorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-3-methylbutanamide
CID 57049916
N-[2-[4-[2-(4-chlorophenyl)ethoxy]-3-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide
CID 70884476
N-[1-[2-(4-chlorophenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 134014648
(2S)-2-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]-3-methylbutanamide
CID 9297518
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 55665042
(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540063
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(3-methoxypropyl)-3-methylbutanamide
CID 24538514
N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 9007896
(2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 110349256
2-[2-(4-chlorophenoxy)ethoxy]-3-methoxybenzoic acid
CID 22680011
3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110298815
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide
CID 33249575

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide?
The IUPAC name of N-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide (CID 57281523) is N-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide.
What is the SMILES notation for N-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide?
The canonical SMILES for N-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide is CCS(=O)(=O)NC(C(=O)NCCc1cccc(OCCOc2ccc(Cl)cc2)c1OC)C(C)C.
What is the InChIKey of N-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide?
The InChIKey is JFSFLZIFEWTGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O6S/c1-5-34(29,30)27-22(17(2)3)24(28)26-14-13-18-7-6-8-21(23(18)31-4)33-16-15-32-20-11-9-19(25)10-12-20/h6-12,17,22,27H,5,13-16H2,1-4H3,(H,26,28).
What are the key properties of N-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide?
N-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide has a molecular weight of 513.06 g/mol, XLogP of 3.43, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(4-chlorophenoxy)ethoxy]-2-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide is sourced from PubChem (CID 57281523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).