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

C20H20N4O4S — CID 2129652

IUPAC4-propoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C20H20N4O4S/c1-2-14-28-17-8-4-15(5-9-17)19(25)23-16-6-10-18(11-7-16)29(26,27)24-20-21-12-3-13-22-20/h3-13H,2,14H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyCMYWNEMCPXYJPH-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.32
Rot. Bonds8

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

4-propoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 2129652) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-propoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-propoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID2129652
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name4-propoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C20H20N4O4S/c1-2-14-28-17-8-4-15(5-9-17)19(25)23-16-6-10-18(11-7-16)29(26,27)24-20-21-12-3-13-22-20/h3-13H,2,14H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyCMYWNEMCPXYJPH-UHFFFAOYSA-N
XLogP3.32
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.32
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-propoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-propoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 2129652) is 4-propoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-propoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-propoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1.
What is the InChIKey of 4-propoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is CMYWNEMCPXYJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-2-14-28-17-8-4-15(5-9-17)19(25)23-16-6-10-18(11-7-16)29(26,27)24-20-21-12-3-13-22-20/h3-13H,2,14H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 4-propoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
4-propoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 412.47 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2129652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).