N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide

C19H21ClN2O5S — CID 55330028

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-22(11-18(23)21-16-10-15(20)8-9-17(16)27-2)19(24)14-6-4-13(5-7-14)12-28(3,25)26/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyBDLQJIJDQXPBEX-UHFFFAOYSA-N
MW424.91 g/mol
LogP2.60
Rot. Bonds7

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide (PubChem CID 55330028) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
PubChem CID55330028
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-22(11-18(23)21-16-10-15(20)8-9-17(16)27-2)19(24)14-6-4-13(5-7-14)12-28(3,25)26/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyBDLQJIJDQXPBEX-UHFFFAOYSA-N
XLogP2.60
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 55388575
[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate
CID 8620835
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 9183059
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-propan-2-yloxybenzamide
CID 9438206
4-(2-amino-2-oxoethoxy)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 9089019
5,6-dichloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 55329725
5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 9438199
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 55329720
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55597649
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-3-nitrobenzamide
CID 9438078
2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 55533606
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide (CID 55330028) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide?
The InChIKey is BDLQJIJDQXPBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-22(11-18(23)21-16-10-15(20)8-9-17(16)27-2)19(24)14-6-4-13(5-7-14)12-28(3,25)26/h4-10H,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide has a molecular weight of 424.91 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 55330028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).