4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

C21H22N4O4S — CID 1283762

IUPAC4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C21H22N4O4S/c1-15(2)14-29-18-8-4-16(5-9-18)20(26)24-17-6-10-19(11-7-17)30(27,28)25-21-22-12-3-13-23-21/h3-13,15H,14H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyJFZQIAPIVLSNQV-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.56
Rot. Bonds8

About 4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1283762) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1283762
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C21H22N4O4S/c1-15(2)14-29-18-8-4-16(5-9-18)20(26)24-17-6-10-19(11-7-17)30(27,28)25-21-22-12-3-13-23-21/h3-13,15H,14H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyJFZQIAPIVLSNQV-UHFFFAOYSA-N
XLogP3.56
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)benzamide
CID 1989527
3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1048934
4-Methoxy-N-[4-(3-methoxy-pyrazin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1068859
3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150965
3-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1219917
3,4,5-trimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1974798
N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-4-methoxybenzamide
CID 1936794
4-(4-(4-Methoxyphenyl)pyrimidin-2-ylamino)benzenesulfonamide
CID 11667571
4-[[1-(4-hydroxybenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 46226678
6-(4-Methoxyphenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 135382567
N-(Benzylsulfonyl)-4-Propoxy-3-({[4-(Pyrimidin-2-Yl)benzoyl]amino}methyl)benzamide
CID 118704890
N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4-methoxyphenyl)acetamide
CID 1009728

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 1283762) is 4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is CC(C)COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is JFZQIAPIVLSNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-15(2)14-29-18-8-4-16(5-9-18)20(26)24-17-6-10-19(11-7-17)30(27,28)25-21-22-12-3-13-23-21/h3-13,15H,14H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 426.50 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1283762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).