N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide

C20H25ClN4O4S — CID 55680503

IUPACN-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H25ClN4O4S/c1-14-8-9-17(11-18(14)30(28,29)24(2)3)23-20(27)13-25(4)12-19(26)22-16-7-5-6-15(21)10-16/h5-11H,12-13H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyXGIBGBXIAOFVID-UHFFFAOYSA-N
MW452.96 g/mol
LogP2.41
Rot. Bonds8

About N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide

N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 55680503) has the molecular formula C20H25ClN4O4S and a molecular weight of 452.96 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
PubChem CID55680503
Molecular FormulaC20H25ClN4O4S
Molecular Weight452.96 g/mol
Exact Mass452.13
IUPAC NameN-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H25ClN4O4S/c1-14-8-9-17(11-18(14)30(28,29)24(2)3)23-20(27)13-25(4)12-19(26)22-16-7-5-6-15(21)10-16/h5-11H,12-13H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyXGIBGBXIAOFVID-UHFFFAOYSA-N
XLogP2.41
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 27249658
2-(2,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 42965042
N-(4-chlorophenyl)-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 9100739
2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 46418498
N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287939
2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide
CID 9100777
(E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide
CID 42965044
(2S)-2-(4-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 40843057
N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide
CID 47524076
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417269
N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 92663794
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 55680304

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide (CID 55680503) is N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is XGIBGBXIAOFVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4S/c1-14-8-9-17(11-18(14)30(28,29)24(2)3)23-20(27)13-25(4)12-19(26)22-16-7-5-6-15(21)10-16/h5-11H,12-13H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide?
N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 452.96 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 55680503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).