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

C22H29ClN2O6S — CID 2955745

IUPAC2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2Cl)cc1OC
InChIInChI=1S/C22H29ClN2O6S/c1-15(2)13-25-32(27,28)17-6-8-19(18(23)12-17)31-14-22(26)24-10-9-16-5-7-20(29-3)21(11-16)30-4/h5-8,11-12,15,25H,9-10,13-14H2,1-4H3,(H,24,26)
InChIKeyXEOZLVPUPINWHW-UHFFFAOYSA-N
MW485.00 g/mol
LogP3.03
Rot. Bonds12

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

2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 2955745) has the molecular formula C22H29ClN2O6S and a molecular weight of 485.00 g/mol. Its IUPAC name is 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID2955745
Molecular FormulaC22H29ClN2O6S
Molecular Weight485.00 g/mol
Exact Mass484.14
IUPAC Name2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2Cl)cc1OC
InChIInChI=1S/C22H29ClN2O6S/c1-15(2)13-25-32(27,28)17-6-8-19(18(23)12-17)31-14-22(26)24-10-9-16-5-7-20(29-3)21(11-16)30-4/h5-8,11-12,15,25H,9-10,13-14H2,1-4H3,(H,24,26)
InChIKeyXEOZLVPUPINWHW-UHFFFAOYSA-N
XLogP3.03
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.00
LogP ≤ 53.03
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-(2-methylpropylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 2955745) is 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2Cl)cc1OC.
What is the InChIKey of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is XEOZLVPUPINWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O6S/c1-15(2)13-25-32(27,28)17-6-8-19(18(23)12-17)31-14-22(26)24-10-9-16-5-7-20(29-3)21(11-16)30-4/h5-8,11-12,15,25H,9-10,13-14H2,1-4H3,(H,24,26).
What are the key properties of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 485.00 g/mol, XLogP of 3.03, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2955745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).