N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide

C23H23ClN2O4S — CID 3913624

IUPACN-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)cc2)c1
InChIInChI=1S/C23H23ClN2O4S/c1-15-4-5-16(2)22(12-15)26-31(28,29)20-9-7-19(8-10-20)30-14-23(27)25-21-11-6-18(24)13-17(21)3/h4-13,26H,14H2,1-3H3,(H,25,27)
InChIKeyUMFZYYLLSBQFPA-UHFFFAOYSA-N
MW458.97 g/mol
LogP5.08
Rot. Bonds7

About N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide

N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 3913624) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID3913624
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)cc2)c1
InChIInChI=1S/C23H23ClN2O4S/c1-15-4-5-16(2)22(12-15)26-31(28,29)20-9-7-19(8-10-20)30-14-23(27)25-21-11-6-18(24)13-17(21)3/h4-13,26H,14H2,1-3H3,(H,25,27)
InChIKeyUMFZYYLLSBQFPA-UHFFFAOYSA-N
XLogP5.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.97
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3908573
N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19174143
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
N-(2,5-dimethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4259927
2-(3,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 21173375
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557
N-(5-chloro-2-methylphenyl)-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45374125
N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1005925
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
CID 126203239
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 7784194
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]-2-phenoxyacetamide
CID 2954030

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide (CID 3913624) is N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)cc2)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is UMFZYYLLSBQFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-15-4-5-16(2)22(12-15)26-31(28,29)20-9-7-19(8-10-20)30-14-23(27)25-21-11-6-18(24)13-17(21)3/h4-13,26H,14H2,1-3H3,(H,25,27).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 458.97 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 3913624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).