N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

C22H21FN2O2S — CID 55368088

IUPACN-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1
InChIInChI=1S/C22H21FN2O2S/c1-3-25(4-2)22(27)16-6-5-7-18(14-16)24-21(26)20-13-12-19(28-20)15-8-10-17(23)11-9-15/h5-14H,3-4H2,1-2H3,(H,24,26)
InChIKeyGLSMOUFBTHTXTI-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.29
Rot. Bonds6

About N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 55368088) has the molecular formula C22H21FN2O2S and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID55368088
Molecular FormulaC22H21FN2O2S
Molecular Weight396.49 g/mol
Exact Mass396.13
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1
InChIInChI=1S/C22H21FN2O2S/c1-3-25(4-2)22(27)16-6-5-7-18(14-16)24-21(26)20-13-12-19(28-20)15-8-10-17(23)11-9-15/h5-14H,3-4H2,1-2H3,(H,24,26)
InChIKeyGLSMOUFBTHTXTI-UHFFFAOYSA-N
XLogP5.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30378979
5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide
CID 55567080
2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 26313397
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31306387
N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 26712749
5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 72914641
5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 55612844
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 46518220
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 55368088) is N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is GLSMOUFBTHTXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2S/c1-3-25(4-2)22(27)16-6-5-7-18(14-16)24-21(26)20-13-12-19(28-20)15-8-10-17(23)11-9-15/h5-14H,3-4H2,1-2H3,(H,24,26).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 55368088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).