N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide

C23H22Cl2N2O4S — CID 126394431

IUPACN-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C23H22Cl2N2O4S/c1-15-7-10-17(11-8-15)27(14-22(28)26-23-18(24)5-4-6-19(23)25)32(29,30)21-13-16(2)9-12-20(21)31-3/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyQLCIVKDEBPQMNT-UHFFFAOYSA-N
MW493.41 g/mol
LogP5.45
Rot. Bonds7

About N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide

N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 126394431) has the molecular formula C23H22Cl2N2O4S and a molecular weight of 493.41 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID126394431
Molecular FormulaC23H22Cl2N2O4S
Molecular Weight493.41 g/mol
Exact Mass492.07
IUPAC NameN-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C23H22Cl2N2O4S/c1-15-7-10-17(11-8-15)27(14-22(28)26-23-18(24)5-4-6-19(23)25)32(29,30)21-13-16(2)9-12-20(21)31-3/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyQLCIVKDEBPQMNT-UHFFFAOYSA-N
XLogP5.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.41
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126393004
N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126395247
2-(3,4-dichloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3668797
N-(4-bromo-2,6-diethylphenyl)-2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 100798781
N-(4-bromo-2,6-dimethylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 100798733
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
CID 126395330
N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126394171
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126391900
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 838667
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126393780
4-[[2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 126394467
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide
CID 28547422

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide (CID 126394431) is N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(C)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is QLCIVKDEBPQMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O4S/c1-15-7-10-17(11-8-15)27(14-22(28)26-23-18(24)5-4-6-19(23)25)32(29,30)21-13-16(2)9-12-20(21)31-3/h4-13H,14H2,1-3H3,(H,26,28).
What are the key properties of N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide?
N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 493.41 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 126394431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).