2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide

C22H20Cl2N2O4S — CID 17313048

IUPAC2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
SMILESCc1c(Cl)cccc1N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C22H20Cl2N2O4S/c1-15-18(24)9-6-10-20(15)26(31(2,28)29)14-22(27)25-19-13-16(23)11-12-21(19)30-17-7-4-3-5-8-17/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyMLNFAWUZDRTXSE-UHFFFAOYSA-N
MW479.39 g/mol
LogP5.50
Rot. Bonds7

About 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide

2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide (PubChem CID 17313048) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
PubChem CID17313048
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC Name2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
SMILESCc1c(Cl)cccc1N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C22H20Cl2N2O4S/c1-15-18(24)9-6-10-20(15)26(31(2,28)29)14-22(27)25-19-13-16(23)11-12-21(19)30-17-7-4-3-5-8-17/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyMLNFAWUZDRTXSE-UHFFFAOYSA-N
XLogP5.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.39
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 126316891
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126322737
N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 21372830
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126273783
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1105251
N-(3-chloro-2-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1352948
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 1319518
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126343496
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 4565026
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 51342871
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126270311
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126415335

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide (CID 17313048) is 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide is Cc1c(Cl)cccc1N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide?
The InChIKey is MLNFAWUZDRTXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c1-15-18(24)9-6-10-20(15)26(31(2,28)29)14-22(27)25-19-13-16(23)11-12-21(19)30-17-7-4-3-5-8-17/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide?
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide has a molecular weight of 479.39 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide is sourced from PubChem (CID 17313048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).