2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C23H29ClN2O5S — CID 2982742

IUPAC2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)cc1
InChIInChI=1S/C23H29ClN2O5S/c1-30-19-9-7-17(8-10-19)13-14-25-23(27)16-31-22-12-11-20(15-21(22)24)32(28,29)26-18-5-3-2-4-6-18/h7-12,15,18,26H,2-6,13-14,16H2,1H3,(H,25,27)
InChIKeySQDDPOSVHIWNSW-UHFFFAOYSA-N
MW481.01 g/mol
LogP3.70
Rot. Bonds10

About 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 2982742) has the molecular formula C23H29ClN2O5S and a molecular weight of 481.01 g/mol. Its IUPAC name is 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID2982742
Molecular FormulaC23H29ClN2O5S
Molecular Weight481.01 g/mol
Exact Mass480.15
IUPAC Name2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)cc1
InChIInChI=1S/C23H29ClN2O5S/c1-30-19-9-7-17(8-10-19)13-14-25-23(27)16-31-22-12-11-20(15-21(22)24)32(28,29)26-18-5-3-2-4-6-18/h7-12,15,18,26H,2-6,13-14,16H2,1H3,(H,25,27)
InChIKeySQDDPOSVHIWNSW-UHFFFAOYSA-N
XLogP3.70
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.01
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 2982742) is 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)cc1.
What is the InChIKey of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is SQDDPOSVHIWNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O5S/c1-30-19-9-7-17(8-10-19)13-14-25-23(27)16-31-22-12-11-20(15-21(22)24)32(28,29)26-18-5-3-2-4-6-18/h7-12,15,18,26H,2-6,13-14,16H2,1H3,(H,25,27).
What are the key properties of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 481.01 g/mol, XLogP of 3.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2982742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).