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

C24H31ClN2O6S — CID 2963999

IUPAC2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)cc1OC
InChIInChI=1S/C24H31ClN2O6S/c1-31-22-10-8-17(14-23(22)32-2)12-13-26-24(28)16-33-21-11-9-19(15-20(21)25)34(29,30)27-18-6-4-3-5-7-18/h8-11,14-15,18,27H,3-7,12-13,16H2,1-2H3,(H,26,28)
InChIKeyMMZXDADCRMUJNY-UHFFFAOYSA-N
MW511.04 g/mol
LogP3.71
Rot. Bonds11

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

2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 2963999) has the molecular formula C24H31ClN2O6S and a molecular weight of 511.04 g/mol. Its IUPAC name is 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID2963999
Molecular FormulaC24H31ClN2O6S
Molecular Weight511.04 g/mol
Exact Mass510.16
IUPAC Name2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)cc1OC
InChIInChI=1S/C24H31ClN2O6S/c1-31-22-10-8-17(14-23(22)32-2)12-13-26-24(28)16-33-21-11-9-19(15-20(21)25)34(29,30)27-18-6-4-3-5-7-18/h8-11,14-15,18,27H,3-7,12-13,16H2,1-2H3,(H,26,28)
InChIKeyMMZXDADCRMUJNY-UHFFFAOYSA-N
XLogP3.71
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.04
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 2963999) is 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)cc1OC.
What is the InChIKey of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is MMZXDADCRMUJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O6S/c1-31-22-10-8-17(14-23(22)32-2)12-13-26-24(28)16-33-21-11-9-19(15-20(21)25)34(29,30)27-18-6-4-3-5-7-18/h8-11,14-15,18,27H,3-7,12-13,16H2,1-2H3,(H,26,28).
What are the key properties of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 511.04 g/mol, XLogP of 3.71, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2963999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).