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

C21H26N2O6S — CID 45375249

IUPAC2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1OC
InChIInChI=1S/C21H26N2O6S/c1-27-19-12-7-16(13-20(19)28-2)22-21(24)14-29-17-8-10-18(11-9-17)30(25,26)23-15-5-3-4-6-15/h7-13,15,23H,3-6,14H2,1-2H3,(H,22,24)
InChIKeyLWGGTJNTONEFFM-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.94
Rot. Bonds9

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

2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 45375249) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID45375249
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1OC
InChIInChI=1S/C21H26N2O6S/c1-27-19-12-7-16(13-20(19)28-2)22-21(24)14-29-17-8-10-18(11-9-17)30(25,26)23-15-5-3-4-6-15/h7-13,15,23H,3-6,14H2,1-2H3,(H,22,24)
InChIKeyLWGGTJNTONEFFM-UHFFFAOYSA-N
XLogP2.94
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4627504
methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45374668
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 126393662
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 45374682
N-(4-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374352
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1087082
N-(1,3-benzodioxol-5-yl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1082985
N-(3-bromophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1315890
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 28551952
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 4511876
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 2943450

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide (CID 45375249) is 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1OC.
What is the InChIKey of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is LWGGTJNTONEFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-27-19-12-7-16(13-20(19)28-2)22-21(24)14-29-17-8-10-18(11-9-17)30(25,26)23-15-5-3-4-6-15/h7-13,15,23H,3-6,14H2,1-2H3,(H,22,24).
What are the key properties of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide?
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 434.51 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 45375249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).