2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide

C21H26ClN3O5S — CID 26883565

IUPAC2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C21H26ClN3O5S/c1-5-25(6-2)31(28,29)17-11-12-19(22)18(13-17)21(27)24(3)14-20(26)23-15-7-9-16(30-4)10-8-15/h7-13H,5-6,14H2,1-4H3,(H,23,26)
InChIKeyKTEWSBDTYWDTNA-UHFFFAOYSA-N
MW467.98 g/mol
LogP3.09
Rot. Bonds9

About 2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide

2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 26883565) has the molecular formula C21H26ClN3O5S and a molecular weight of 467.98 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID26883565
Molecular FormulaC21H26ClN3O5S
Molecular Weight467.98 g/mol
Exact Mass467.13
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C21H26ClN3O5S/c1-5-25(6-2)31(28,29)17-11-12-19(22)18(13-17)21(27)24(3)14-20(26)23-15-7-9-16(30-4)10-8-15/h7-13H,5-6,14H2,1-4H3,(H,23,26)
InChIKeyKTEWSBDTYWDTNA-UHFFFAOYSA-N
XLogP3.09
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 27793329
N-(3,4-dichlorophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3994526
N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 27652175
[2-(4-ethoxyanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510318
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2709966
2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 46387538
N-[4-(diethylsulfamoyl)phenyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 126348365
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126009467
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30795639
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126012291
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9027460

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide (CID 26883565) is 2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is KTEWSBDTYWDTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O5S/c1-5-25(6-2)31(28,29)17-11-12-19(22)18(13-17)21(27)24(3)14-20(26)23-15-7-9-16(30-4)10-8-15/h7-13H,5-6,14H2,1-4H3,(H,23,26).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 467.98 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 26883565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).