2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C24H32N2O6S — CID 45374682

IUPAC2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1OC
InChIInChI=1S/C24H32N2O6S/c1-30-22-13-8-18(16-23(22)31-2)14-15-25-24(27)17-32-20-9-11-21(12-10-20)33(28,29)26-19-6-4-3-5-7-19/h8-13,16,19,26H,3-7,14-15,17H2,1-2H3,(H,25,27)
InChIKeyRPETYXTZUROWID-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.05
Rot. Bonds11

About 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 45374682) has the molecular formula C24H32N2O6S and a molecular weight of 476.60 g/mol. Its IUPAC name is 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID45374682
Molecular FormulaC24H32N2O6S
Molecular Weight476.60 g/mol
Exact Mass476.20
IUPAC Name2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1OC
InChIInChI=1S/C24H32N2O6S/c1-30-22-13-8-18(16-23(22)31-2)14-15-25-24(27)17-32-20-9-11-21(12-10-20)33(28,29)26-19-6-4-3-5-7-19/h8-13,16,19,26H,3-7,14-15,17H2,1-2H3,(H,25,27)
InChIKeyRPETYXTZUROWID-UHFFFAOYSA-N
XLogP3.05
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 45374111
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 45375249
N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374355
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide
CID 108759391
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide
CID 126258628
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide
CID 45375351
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 42563714
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 55947486
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 108736368
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(dimethylamino)phenoxy]acetamide
CID 71745859
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfanylphenoxy)acetamide
CID 7893707

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 45374682) is 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1OC.
What is the InChIKey of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is RPETYXTZUROWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6S/c1-30-22-13-8-18(16-23(22)31-2)14-15-25-24(27)17-32-20-9-11-21(12-10-20)33(28,29)26-19-6-4-3-5-7-19/h8-13,16,19,26H,3-7,14-15,17H2,1-2H3,(H,25,27).
What are the key properties of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 476.60 g/mol, XLogP of 3.05, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 45374682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).