2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide

C20H24Cl2N2O4S — CID 42977229

IUPAC2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)NC(C)C(C)C)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H24Cl2N2O4S/c1-13(2)14(3)23-20(25)12-24(18-7-5-6-8-19(18)28-4)29(26,27)15-9-10-16(21)17(22)11-15/h5-11,13-14H,12H2,1-4H3,(H,23,25)
InChIKeyLYAOFAYIQSUSTO-UHFFFAOYSA-N
MW459.40 g/mol
LogP4.36
Rot. Bonds8

About 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide

2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 42977229) has the molecular formula C20H24Cl2N2O4S and a molecular weight of 459.40 g/mol. Its IUPAC name is 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide
PubChem CID42977229
Molecular FormulaC20H24Cl2N2O4S
Molecular Weight459.40 g/mol
Exact Mass458.08
IUPAC Name2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)NC(C)C(C)C)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H24Cl2N2O4S/c1-13(2)14(3)23-20(25)12-24(18-7-5-6-8-19(18)28-4)29(26,27)15-9-10-16(21)17(22)11-15/h5-11,13-14H,12H2,1-4H3,(H,23,25)
InChIKeyLYAOFAYIQSUSTO-UHFFFAOYSA-N
XLogP4.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 2695420
2-(2-methoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564349
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide
CID 133240413
2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 23519212
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125065161
methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894816
N-[(2R)-3-methylbutan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 125074087
N-[(2S)-3-methylbutan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 100562663
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100772312
propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894846
N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43897780
N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43900869

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide (CID 42977229) is 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide is COc1ccccc1N(CC(=O)NC(C)C(C)C)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is LYAOFAYIQSUSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O4S/c1-13(2)14(3)23-20(25)12-24(18-7-5-6-8-19(18)28-4)29(26,27)15-9-10-16(21)17(22)11-15/h5-11,13-14H,12H2,1-4H3,(H,23,25).
What are the key properties of 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide?
2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 459.40 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 42977229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).