N-(4-fluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C21H19FN2O2S — CID 7571808

IUPACN-(4-fluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C21H19FN2O2S/c22-16-6-8-17(9-7-16)23-20(25)19-14-18(15-4-2-1-3-5-15)21(27-19)24-10-12-26-13-11-24/h1-9,14H,10-13H2,(H,23,25)
InChIKeyNYLTWGVNSKZTKS-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.64
Rot. Bonds4

About N-(4-fluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-(4-fluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 7571808) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID7571808
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC NameN-(4-fluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C21H19FN2O2S/c22-16-6-8-17(9-7-16)23-20(25)19-14-18(15-4-2-1-3-5-15)21(27-19)24-10-12-26-13-11-24/h1-9,14H,10-13H2,(H,23,25)
InChIKeyNYLTWGVNSKZTKS-UHFFFAOYSA-N
XLogP4.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 7571808) is N-(4-fluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of N-(4-fluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is NYLTWGVNSKZTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c22-16-6-8-17(9-7-16)23-20(25)19-14-18(15-4-2-1-3-5-15)21(27-19)24-10-12-26-13-11-24/h1-9,14H,10-13H2,(H,23,25).
What are the key properties of N-(4-fluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-(4-fluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 7571808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).