N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide

C17H17Cl2N3O4S — CID 56511069

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H17Cl2N3O4S/c1-22(10-16(23)21-12-4-7-14(18)15(19)9-12)17(24)8-11-2-5-13(6-3-11)27(20,25)26/h2-7,9H,8,10H2,1H3,(H,21,23)(H2,20,25,26)
InChIKeyYNIVNVMFIAOIPH-UHFFFAOYSA-N
MW430.31 g/mol
LogP2.28
Rot. Bonds6

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56511069) has the molecular formula C17H17Cl2N3O4S and a molecular weight of 430.31 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide
PubChem CID56511069
Molecular FormulaC17H17Cl2N3O4S
Molecular Weight430.31 g/mol
Exact Mass429.03
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H17Cl2N3O4S/c1-22(10-16(23)21-12-4-7-14(18)15(19)9-12)17(24)8-11-2-5-13(6-3-11)27(20,25)26/h2-7,9H,8,10H2,1H3,(H,21,23)(H2,20,25,26)
InChIKeyYNIVNVMFIAOIPH-UHFFFAOYSA-N
XLogP2.28
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 2672755
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56540885
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9418661
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 29359193
N-(3,4-dichlorophenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35303305
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
CID 78806129
2-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 8503168
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 9058026
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]-N-methylacetamide
CID 35412970
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide (CID 56511069) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is YNIVNVMFIAOIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O4S/c1-22(10-16(23)21-12-4-7-14(18)15(19)9-12)17(24)8-11-2-5-13(6-3-11)27(20,25)26/h2-7,9H,8,10H2,1H3,(H,21,23)(H2,20,25,26).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 430.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56511069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).