2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide

C25H26Cl2N2O4S — CID 30402279

IUPAC2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1C
InChIInChI=1S/C25H26Cl2N2O4S/c1-15-11-17(3)22(12-16(15)2)18(4)28-25(30)14-33-24-10-9-21(13-23(24)27)34(31,32)29-20-7-5-19(26)6-8-20/h5-13,18,29H,14H2,1-4H3,(H,28,30)/t18-/m1/s1
InChIKeyHRINQJILRQAKSN-GOSISDBHSA-N
MW521.47 g/mol
LogP5.98
Rot. Bonds8

About 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide

2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 30402279) has the molecular formula C25H26Cl2N2O4S and a molecular weight of 521.47 g/mol. Its IUPAC name is 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID30402279
Molecular FormulaC25H26Cl2N2O4S
Molecular Weight521.47 g/mol
Exact Mass520.10
IUPAC Name2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1C
InChIInChI=1S/C25H26Cl2N2O4S/c1-15-11-17(3)22(12-16(15)2)18(4)28-25(30)14-33-24-10-9-21(13-23(24)27)34(31,32)29-20-7-5-19(26)6-8-20/h5-13,18,29H,14H2,1-4H3,(H,28,30)/t18-/m1/s1
InChIKeyHRINQJILRQAKSN-GOSISDBHSA-N
XLogP5.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.47
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906438
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43906437
2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402290
2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28555570
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401927
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906385
2-[2-chloro-4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402291
2-(4-chlorophenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217637
N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43873751
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28555736
3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404935
2-[4-(propan-2-ylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906315

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 30402279) is 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1C.
What is the InChIKey of 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is HRINQJILRQAKSN-GOSISDBHSA-N. The full InChI is InChI=1S/C25H26Cl2N2O4S/c1-15-11-17(3)22(12-16(15)2)18(4)28-25(30)14-33-24-10-9-21(13-23(24)27)34(31,32)29-20-7-5-19(26)6-8-20/h5-13,18,29H,14H2,1-4H3,(H,28,30)/t18-/m1/s1.
What are the key properties of 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 521.47 g/mol, XLogP of 5.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 30402279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).