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

C22H23FN4O3S — CID 16666176

IUPAC2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
SMILESCC(C)CNS(=O)(=O)c1cccc(CNC(=O)c2cnc(-c3cccc(F)c3)nc2)c1
InChIInChI=1S/C22H23FN4O3S/c1-15(2)11-27-31(29,30)20-8-3-5-16(9-20)12-26-22(28)18-13-24-21(25-14-18)17-6-4-7-19(23)10-17/h3-10,13-15,27H,11-12H2,1-2H3,(H,26,28)
InChIKeyDLEMPWCUBOMJKZ-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.15
Rot. Bonds8

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

2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide (PubChem CID 16666176) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
PubChem CID16666176
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC Name2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
SMILESCC(C)CNS(=O)(=O)c1cccc(CNC(=O)c2cnc(-c3cccc(F)c3)nc2)c1
InChIInChI=1S/C22H23FN4O3S/c1-15(2)11-27-31(29,30)20-8-3-5-16(9-20)12-26-22(28)18-13-24-21(25-14-18)17-6-4-7-19(23)10-17/h3-10,13-15,27H,11-12H2,1-2H3,(H,26,28)
InChIKeyDLEMPWCUBOMJKZ-UHFFFAOYSA-N
XLogP3.15
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]phenyl]methyl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 16665710
2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 16665633
2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 69282449
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731459
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 55944871
2-(3-fluorophenyl)-N-[[3-[propyl(pyrrolidin-3-yl)sulfamoyl]phenyl]methyl]pyrimidine-5-carboxamide
CID 69122635
1-ethyl-3-[(sulfamoylamino)methyl]benzene;2-(3-fluorophenyl)pyrimidine-5-carboxylic acid
CID 69122730
3-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674645
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55946409
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 55946410
3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide
CID 109062787

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide (CID 16666176) is 2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide is CC(C)CNS(=O)(=O)c1cccc(CNC(=O)c2cnc(-c3cccc(F)c3)nc2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is DLEMPWCUBOMJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-15(2)11-27-31(29,30)20-8-3-5-16(9-20)12-26-22(28)18-13-24-21(25-14-18)17-6-4-7-19(23)10-17/h3-10,13-15,27H,11-12H2,1-2H3,(H,26,28).
What are the key properties of 2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide?
2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 16666176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).