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

C22H21ClN2O4S — CID 3908573

IUPACN-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C22H21ClN2O4S/c1-15-6-7-16(2)21(12-15)25-30(27,28)20-10-8-19(9-11-20)29-14-22(26)24-18-5-3-4-17(23)13-18/h3-13,25H,14H2,1-2H3,(H,24,26)
InChIKeyBUQCGBRKGRIRTE-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.78
Rot. Bonds7

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

N-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 3908573) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID3908573
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC NameN-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C22H21ClN2O4S/c1-15-6-7-16(2)21(12-15)25-30(27,28)20-10-8-19(9-11-20)29-14-22(26)24-18-5-3-4-17(23)13-18/h3-13,25H,14H2,1-2H3,(H,24,26)
InChIKeyBUQCGBRKGRIRTE-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-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3913624
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573
2-(3,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 21173375
N-(2,5-dimethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4259927
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(1-phenylethyl)acetamide
CID 4580368
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173519
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 4995850
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
CID 94783611
N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 43873317
2-(3-chlorophenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 24638123
N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3918848
N-(3,4-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3435496

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide (CID 3908573) is N-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is BUQCGBRKGRIRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-15-6-7-16(2)21(12-15)25-30(27,28)20-10-8-19(9-11-20)29-14-22(26)24-18-5-3-4-17(23)13-18/h3-13,25H,14H2,1-2H3,(H,24,26).
What are the key properties of N-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
N-(3-chlorophenyl)-2-[4-[(2,5-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-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 3908573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).