2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide

C20H26ClN3O5S2 — CID 126327140

IUPAC2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26ClN3O5S2/c1-5-23(6-2)31(28,29)18-11-9-17(10-12-18)22-20(25)14-24(30(4,26)27)19-13-16(21)8-7-15(19)3/h7-13H,5-6,14H2,1-4H3,(H,22,25)
InChIKeyDPVIGGLBRASBAT-UHFFFAOYSA-N
MW488.03 g/mol
LogP3.08
Rot. Bonds9

About 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 126327140) has the molecular formula C20H26ClN3O5S2 and a molecular weight of 488.03 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide
PubChem CID126327140
Molecular FormulaC20H26ClN3O5S2
Molecular Weight488.03 g/mol
Exact Mass487.10
IUPAC Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26ClN3O5S2/c1-5-23(6-2)31(28,29)18-11-9-17(10-12-18)22-20(25)14-24(30(4,26)27)19-13-16(21)8-7-15(19)3/h7-13H,5-6,14H2,1-4H3,(H,22,25)
InChIKeyDPVIGGLBRASBAT-UHFFFAOYSA-N
XLogP3.08
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.03
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1204044
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 1204030
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 998677
N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126254789
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1288859
N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 21368260
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-fluorophenyl)acetamide
CID 3611003
N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 27056713
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30837672
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880905
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126031230

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide (CID 126327140) is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is DPVIGGLBRASBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O5S2/c1-5-23(6-2)31(28,29)18-11-9-17(10-12-18)22-20(25)14-24(30(4,26)27)19-13-16(21)8-7-15(19)3/h7-13H,5-6,14H2,1-4H3,(H,22,25).
What are the key properties of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide?
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 488.03 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 126327140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).