2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide

C20H19FN4O3S — CID 16665941

IUPAC2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2cnc(-c3cccc(F)c3)nc2C)c1
InChIInChI=1S/C20H19FN4O3S/c1-13-18(12-23-19(25-13)15-6-4-7-16(21)10-15)20(26)24-11-14-5-3-8-17(9-14)29(27,28)22-2/h3-10,12,22H,11H2,1-2H3,(H,24,26)
InChIKeyWNRZAINOLZAVFD-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.43
Rot. Bonds6

About 2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide

2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide (PubChem CID 16665941) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
PubChem CID16665941
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC Name2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2cnc(-c3cccc(F)c3)nc2C)c1
InChIInChI=1S/C20H19FN4O3S/c1-13-18(12-23-19(25-13)15-6-4-7-16(21)10-15)20(26)24-11-14-5-3-8-17(9-14)29(27,28)22-2/h3-10,12,22H,11H2,1-2H3,(H,24,26)
InChIKeyWNRZAINOLZAVFD-UHFFFAOYSA-N
XLogP2.43
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 16665631
CID 16665631
CID 132576333
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CID 2147304
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CID 2147410
CID 2147410
CID 2186768
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CID 2336857
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CID 2428343
CID 2428343

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide (CID 16665941) is 2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide is CNS(=O)(=O)c1cccc(CNC(=O)c2cnc(-c3cccc(F)c3)nc2C)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is WNRZAINOLZAVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c1-13-18(12-23-19(25-13)15-6-4-7-16(21)10-15)20(26)24-11-14-5-3-8-17(9-14)29(27,28)22-2/h3-10,12,22H,11H2,1-2H3,(H,24,26).
What are the key properties of 2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide?
2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 16665941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).