N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide

C22H25N5O3S — CID 43074585

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide
SMILESCc1nccc(-c2cccc(NCC(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)c2)n1
InChIInChI=1S/C22H25N5O3S/c1-15-8-9-19(13-21(15)31(29,30)27(3)4)26-22(28)14-24-18-7-5-6-17(12-18)20-10-11-23-16(2)25-20/h5-13,24H,14H2,1-4H3,(H,26,28)
InChIKeyMGVCIFPNVOYGDK-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.06
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide (PubChem CID 43074585) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide
PubChem CID43074585
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide
SMILESCc1nccc(-c2cccc(NCC(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)c2)n1
InChIInChI=1S/C22H25N5O3S/c1-15-8-9-19(13-21(15)31(29,30)27(3)4)26-22(28)14-24-18-7-5-6-17(12-18)20-10-11-23-16(2)25-20/h5-13,24H,14H2,1-4H3,(H,26,28)
InChIKeyMGVCIFPNVOYGDK-UHFFFAOYSA-N
XLogP3.06
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide
CID 9100777
N-(4-butan-2-ylphenyl)-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide
CID 112822811
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417269
N-(4-chlorophenyl)-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 9100739
4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707129
2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 37231421
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 26522302
4-tert-butyl-N-[3-[3-(2-methylpyrimidin-4-yl)anilino]-3-oxopropyl]benzamide
CID 39028780
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide
CID 39027894
N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
CID 55680503
2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4790618

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide (CID 43074585) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide is Cc1nccc(-c2cccc(NCC(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)c2)n1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide?
The InChIKey is MGVCIFPNVOYGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-15-8-9-19(13-21(15)31(29,30)27(3)4)26-22(28)14-24-18-7-5-6-17(12-18)20-10-11-23-16(2)25-20/h5-13,24H,14H2,1-4H3,(H,26,28).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide has a molecular weight of 439.54 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide is sourced from PubChem (CID 43074585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).