2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide

C24H25ClN2O5S — CID 53280087

IUPAC2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-16-6-5-7-17(2)24(16)26-23(28)15-27(19-10-8-18(25)9-11-19)33(29,30)20-12-13-21(31-3)22(14-20)32-4/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyRXSPRRSSDNCQAE-UHFFFAOYSA-N
MW488.99 g/mol
LogP4.81
Rot. Bonds8

About 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide

2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 53280087) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
PubChem CID53280087
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-16-6-5-7-17(2)24(16)26-23(28)15-27(19-10-8-18(25)9-11-19)33(29,30)20-12-13-21(31-3)22(14-20)32-4/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyRXSPRRSSDNCQAE-UHFFFAOYSA-N
XLogP4.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1241981
N-(4-chlorophenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126143002
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 1363105
N-(5-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 1006755
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125078858
N-(2,6-diethylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1006564
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 125060392
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133251683
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 3655318
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
CID 5021782
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 1263762
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43898881

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide (CID 53280087) is 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is RXSPRRSSDNCQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-16-6-5-7-17(2)24(16)26-23(28)15-27(19-10-8-18(25)9-11-19)33(29,30)20-12-13-21(31-3)22(14-20)32-4/h5-14H,15H2,1-4H3,(H,26,28).
What are the key properties of 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide?
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 488.99 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 53280087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).