5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide

C21H18FN3O2S — CID 99811761

IUPAC5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCNC2=O)c1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C21H18FN3O2S/c22-15-7-5-14(6-8-15)18-9-10-19(28-18)20(26)24-16-3-1-4-17(13-16)25-12-2-11-23-21(25)27/h1,3-10,13H,2,11-12H2,(H,23,27)(H,24,26)
InChIKeyLMEOZXBIOUKLAS-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.73
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide

5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 99811761) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID99811761
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC Name5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(N2CCCNC2=O)c1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C21H18FN3O2S/c22-15-7-5-14(6-8-15)18-9-10-19(28-18)20(26)24-16-3-1-4-17(13-16)25-12-2-11-23-21(25)27/h1,3-10,13H,2,11-12H2,(H,23,27)(H,24,26)
InChIKeyLMEOZXBIOUKLAS-UHFFFAOYSA-N
XLogP4.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide
CID 119809530
3,4-difluoro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 110874016
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30378979
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 75423273
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide
CID 55567080
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide
CID 55765795
N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 55368088
2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 120795442
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 154834572

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide (CID 99811761) is 5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is LMEOZXBIOUKLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c22-15-7-5-14(6-8-15)18-9-10-19(28-18)20(26)24-16-3-1-4-17(13-16)25-12-2-11-23-21(25)27/h1,3-10,13H,2,11-12H2,(H,23,27)(H,24,26).
What are the key properties of 5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide?
5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 99811761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).