5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide

C22H21FN2O2S — CID 55615367

IUPAC5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C22H21FN2O2S/c1-15-14-16(25-10-12-27-13-11-25)6-7-19(15)24-22(26)21-9-8-20(28-21)17-4-2-3-5-18(17)23/h2-9,14H,10-13H2,1H3,(H,24,26)
InChIKeyFYNHPGPUQMNXFZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.95
Rot. Bonds4

About 5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide

5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 55615367) has the molecular formula C22H21FN2O2S and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID55615367
Molecular FormulaC22H21FN2O2S
Molecular Weight396.49 g/mol
Exact Mass396.13
IUPAC Name5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C22H21FN2O2S/c1-15-14-16(25-10-12-27-13-11-25)6-7-19(15)24-22(26)21-9-8-20(28-21)17-4-2-3-5-18(17)23/h2-9,14H,10-13H2,1H3,(H,24,26)
InChIKeyFYNHPGPUQMNXFZ-UHFFFAOYSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 55608765
5-(2-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 46408534
5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 52804465
N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
CID 39267225
3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid
CID 90893627
1-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55615249
5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide
CID 143413657
1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide
CID 49159995
1-tert-butyl-3-(2-methyl-4-morpholin-4-ylphenyl)urea
CID 78896475
5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 8961115
4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
CID 154773651
4-bromo-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide
CID 55620636

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide (CID 55615367) is 5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide is Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-c2ccccc2F)s1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is FYNHPGPUQMNXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2S/c1-15-14-16(25-10-12-27-13-11-25)6-7-19(15)24-22(26)21-9-8-20(28-21)17-4-2-3-5-18(17)23/h2-9,14H,10-13H2,1H3,(H,24,26).
What are the key properties of 5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide?
5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 55615367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).