2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide

C18H21ClN2O6S — CID 655066

IUPAC2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1
InChIInChI=1S/C18H21ClN2O6S/c1-25-13-6-8-17(27-3)15(10-13)20-18(22)11-21(28(4,23)24)12-5-7-16(26-2)14(19)9-12/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeySLKYOQJHOHEYJJ-UHFFFAOYSA-N
MW428.89 g/mol
LogP2.77
Rot. Bonds8

About 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide

2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 655066) has the molecular formula C18H21ClN2O6S and a molecular weight of 428.89 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID655066
Molecular FormulaC18H21ClN2O6S
Molecular Weight428.89 g/mol
Exact Mass428.08
IUPAC Name2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1
InChIInChI=1S/C18H21ClN2O6S/c1-25-13-6-8-17(27-3)15(10-13)20-18(22)11-21(28(4,23)24)12-5-7-16(26-2)14(19)9-12/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeySLKYOQJHOHEYJJ-UHFFFAOYSA-N
XLogP2.77
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.89
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2947640
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 1841163
2-[(2,5-Dimethoxy-phenyl)-methanesulfonyl-amino]-N-phenyl-acetamide
CID 645150
N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1021981
N-(2,5-Dimethoxy-phenyl)-2-[(2-ethoxy-phenyl)-methanesulfonyl-amino]-acetamide
CID 1100065
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-(2-methoxy-phenyl)-acetamide
CID 1105780
2-[(4-Chloro-phenyl)-methanesulfonyl-amino]-N-(3,4-dimethoxy-phenyl)-acetamide
CID 1107867
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-(4-methoxy-phenyl)-acetamide
CID 1108099
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-(3,4-dimethoxy-phenyl)-acetamide
CID 1108101
N~2~-[(4-chlorophenyl)sulfonyl]-N~1~-(2,5-dimethoxyphenyl)-N~2~-methylglycinamide
CID 1330898
N-(3-chloro-4-methoxyphenyl)-N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 1331482
Cambridge id 6746060
CID 2912764

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide (CID 655066) is 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is SLKYOQJHOHEYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O6S/c1-25-13-6-8-17(27-3)15(10-13)20-18(22)11-21(28(4,23)24)12-5-7-16(26-2)14(19)9-12/h5-10H,11H2,1-4H3,(H,20,22).
What are the key properties of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide?
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 428.89 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 655066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).