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

C24H26FN5O4S — CID 16665633

IUPAC2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1cccc(S(=O)(=O)NCCN2CCOCC2)c1)c1cnc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H26FN5O4S/c25-21-5-2-4-19(14-21)23-26-16-20(17-27-23)24(31)28-15-18-3-1-6-22(13-18)35(32,33)29-7-8-30-9-11-34-12-10-30/h1-6,13-14,16-17,29H,7-12,15H2,(H,28,31)
InChIKeyGPOYAQUQFHVJNG-UHFFFAOYSA-N
MW499.57 g/mol
LogP1.82
Rot. Bonds9

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

2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide (PubChem CID 16665633) has the molecular formula C24H26FN5O4S and a molecular weight of 499.57 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
PubChem CID16665633
Molecular FormulaC24H26FN5O4S
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1cccc(S(=O)(=O)NCCN2CCOCC2)c1)c1cnc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H26FN5O4S/c25-21-5-2-4-19(14-21)23-26-16-20(17-27-23)24(31)28-15-18-3-1-6-22(13-18)35(32,33)29-7-8-30-9-11-34-12-10-30/h1-6,13-14,16-17,29H,7-12,15H2,(H,28,31)
InChIKeyGPOYAQUQFHVJNG-UHFFFAOYSA-N
XLogP1.82
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 16666176
2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 69282449
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
N-[[3-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]phenyl]methyl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 16665710
3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206339
[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate
CID 71134174
3-[2-(dimethylamino)ethylsulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 109063961
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 50842206
2-(3-fluorophenyl)-N-[[3-[propyl(pyrrolidin-3-yl)sulfamoyl]phenyl]methyl]pyrimidine-5-carboxamide
CID 69122635
3-(cyclopropylmethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 47039154
3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 100653397
3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805738

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide (CID 16665633) is 2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide is O=C(NCc1cccc(S(=O)(=O)NCCN2CCOCC2)c1)c1cnc(-c2cccc(F)c2)nc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is GPOYAQUQFHVJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4S/c25-21-5-2-4-19(14-21)23-26-16-20(17-27-23)24(31)28-15-18-3-1-6-22(13-18)35(32,33)29-7-8-30-9-11-34-12-10-30/h1-6,13-14,16-17,29H,7-12,15H2,(H,28,31).
What are the key properties of 2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide?
2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 16665633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).