N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide

C22H21ClN2O4S — CID 3918848

IUPACN-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C22H21ClN2O4S/c1-15-11-16(2)13-19(12-15)25-30(27,28)21-9-7-20(8-10-21)29-14-22(26)24-18-5-3-17(23)4-6-18/h3-13,25H,14H2,1-2H3,(H,24,26)
InChIKeyNINWOOMWXVNFFN-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.78
Rot. Bonds7

About N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide

N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 3918848) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID3918848
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC NameN-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C22H21ClN2O4S/c1-15-11-16(2)13-19(12-15)25-30(27,28)21-9-7-20(8-10-21)29-14-22(26)24-18-5-3-17(23)4-6-18/h3-13,25H,14H2,1-2H3,(H,24,26)
InChIKeyNINWOOMWXVNFFN-UHFFFAOYSA-N
XLogP4.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553530
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573
N-(3,4-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3435496
2-(4-chloro-2-methylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1013139
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
CID 94783611
2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55346018
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 126393662
2-(3,5-dimethylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4510841
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide
CID 1013137
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide
CID 126393495
N-(3,5-dimethylphenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126204216
N-(4-chlorophenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 5185109

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide (CID 3918848) is N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is NINWOOMWXVNFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-15-11-16(2)13-19(12-15)25-30(27,28)21-9-7-20(8-10-21)29-14-22(26)24-18-5-3-17(23)4-6-18/h3-13,25H,14H2,1-2H3,(H,24,26).
What are the key properties of N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 444.94 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 3918848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).