[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate

C26H26F2N6O5S — CID 71134174

IUPAC[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate
SMILESCc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1cc(S(=O)(=O)NCCN2CCOCC2)c2cc(F)ccc21
InChIInChI=1S/C26H26F2N6O5S/c1-17-23(15-29-25(31-17)18-3-2-4-19(27)13-18)39-26(35)32-34-16-24(21-14-20(28)5-6-22(21)34)40(36,37)30-7-8-33-9-11-38-12-10-33/h2-6,13-16,30H,7-12H2,1H3,(H,32,35)
InChIKeyWDEGNPAVASTMNJ-UHFFFAOYSA-N
MW572.59 g/mol
LogP3.04
Rot. Bonds8

About [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate

[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate (PubChem CID 71134174) has the molecular formula C26H26F2N6O5S and a molecular weight of 572.59 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate
PubChem CID71134174
Molecular FormulaC26H26F2N6O5S
Molecular Weight572.59 g/mol
Exact Mass572.17
IUPAC Name[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate
SMILESCc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1cc(S(=O)(=O)NCCN2CCOCC2)c2cc(F)ccc21
InChIInChI=1S/C26H26F2N6O5S/c1-17-23(15-29-25(31-17)18-3-2-4-19(27)13-18)39-26(35)32-34-16-24(21-14-20(28)5-6-22(21)34)40(36,37)30-7-8-33-9-11-38-12-10-33/h2-6,13-16,30H,7-12H2,1H3,(H,32,35)
InChIKeyWDEGNPAVASTMNJ-UHFFFAOYSA-N
XLogP3.04
TPSA127.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.59
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 16665633
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6487446
2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60822981
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 50842206
3-fluoro-4-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 154741645
2-amino-5-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60986198
3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805738
N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 113053722
[2-(3-fluorophenyl)pyrimidin-5-yl] N-(5-methylsulfonylindol-1-yl)carbamate
CID 71134196
5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 92567545
N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide
CID 53330380

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate?
The IUPAC name of [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate (CID 71134174) is [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate.
What is the SMILES notation for [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate?
The canonical SMILES for [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate is Cc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1cc(S(=O)(=O)NCCN2CCOCC2)c2cc(F)ccc21.
What is the InChIKey of [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate?
The InChIKey is WDEGNPAVASTMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O5S/c1-17-23(15-29-25(31-17)18-3-2-4-19(27)13-18)39-26(35)32-34-16-24(21-14-20(28)5-6-22(21)34)40(36,37)30-7-8-33-9-11-38-12-10-33/h2-6,13-16,30H,7-12H2,1H3,(H,32,35).
What are the key properties of [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate?
[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate has a molecular weight of 572.59 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate is sourced from PubChem (CID 71134174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).