4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide

C21H22N4O3S — CID 134036658

IUPAC4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C21H22N4O3S/c1-15(2)25(3)29(27,28)19-11-9-17(10-12-19)21(26)24-18-13-22-20(23-14-18)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,24,26)
InChIKeyDDJQXZFREZLTOM-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.42
Rot. Bonds6

About 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide

4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide (PubChem CID 134036658) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide
PubChem CID134036658
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C21H22N4O3S/c1-15(2)25(3)29(27,28)19-11-9-17(10-12-19)21(26)24-18-13-22-20(23-14-18)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,24,26)
InChIKeyDDJQXZFREZLTOM-UHFFFAOYSA-N
XLogP3.42
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide
CID 33314267
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363704
N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993166
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363687
N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297168
N-(2-chlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363696
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993117
3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 8759609
1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide
CID 9224121
4-[methyl(propan-2-yl)sulfamoyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 44993047
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 86942016
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide?
The IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide (CID 134036658) is 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide?
The canonical SMILES for 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1.
What is the InChIKey of 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide?
The InChIKey is DDJQXZFREZLTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-15(2)25(3)29(27,28)19-11-9-17(10-12-19)21(26)24-18-13-22-20(23-14-18)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,24,26).
What are the key properties of 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide?
4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide has a molecular weight of 410.50 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 134036658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).