2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

C19H18N4O3S — CID 1080635

IUPAC2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C19H18N4O3S/c1-14-3-5-15(6-4-14)13-18(24)22-16-7-9-17(10-8-16)27(25,26)23-19-20-11-2-12-21-19/h2-12H,13H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyVYFJBZVFZRPYBM-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.77
Rot. Bonds6

About 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 1080635) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID1080635
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C19H18N4O3S/c1-14-3-5-15(6-4-14)13-18(24)22-16-7-9-17(10-8-16)27(25,26)23-19-20-11-2-12-21-19/h2-12H,13H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyVYFJBZVFZRPYBM-UHFFFAOYSA-N
XLogP2.77
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 1080635) is 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is VYFJBZVFZRPYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-14-3-5-15(6-4-14)13-18(24)22-16-7-9-17(10-8-16)27(25,26)23-19-20-11-2-12-21-19/h2-12H,13H2,1H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 382.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1080635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).