4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide

C17H22N4O3S — CID 166200854

IUPAC4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc(C(C)C)n1
InChIInChI=1S/C17H22N4O3S/c1-11(2)16-18-12(3)10-15(19-16)20-17(22)13-6-8-14(9-7-13)25(23,24)21(4)5/h6-11H,1-5H3,(H,18,19,20,22)
InChIKeyGYDBSUYROOMRIC-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.41
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide

4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide (PubChem CID 166200854) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide
PubChem CID166200854
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc(C(C)C)n1
InChIInChI=1S/C17H22N4O3S/c1-11(2)16-18-12(3)10-15(19-16)20-17(22)13-6-8-14(9-7-13)25(23,24)21(4)5/h6-11H,1-5H3,(H,18,19,20,22)
InChIKeyGYDBSUYROOMRIC-UHFFFAOYSA-N
XLogP2.41
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 2401409
N,N-dimethyl-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 18120121
4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928138
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 42886823
N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 7719621
4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide
CID 42172358
N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide
CID 113030001
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(dimethylsulfamoyl)benzamide
CID 47078487
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
(2S)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 9441553
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 110776363

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide (CID 166200854) is 4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc(C(C)C)n1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide?
The InChIKey is GYDBSUYROOMRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11(2)16-18-12(3)10-15(19-16)20-17(22)13-6-8-14(9-7-13)25(23,24)21(4)5/h6-11H,1-5H3,(H,18,19,20,22).
What are the key properties of 4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide?
4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide has a molecular weight of 362.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 166200854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).