N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C24H24FN3O3S — CID 27794928

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C24H24FN3O3S/c1-27(16-22(29)26-19-9-5-8-18(25)14-19)23(30)21-15-20(17-6-3-2-4-7-17)24(32-21)28-10-12-31-13-11-28/h2-9,14-15H,10-13,16H2,1H3,(H,26,29)
InChIKeySYKMBMZXBGPIMR-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.10
Rot. Bonds6

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 27794928) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID27794928
Molecular FormulaC24H24FN3O3S
Molecular Weight453.54 g/mol
Exact Mass453.15
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C24H24FN3O3S/c1-27(16-22(29)26-19-9-5-8-18(25)14-19)23(30)21-15-20(17-6-3-2-4-7-17)24(32-21)28-10-12-31-13-11-28/h2-9,14-15H,10-13,16H2,1H3,(H,26,29)
InChIKeySYKMBMZXBGPIMR-UHFFFAOYSA-N
XLogP4.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 134008677
N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide
CID 52905917
N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55753857
5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 27794621
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide
CID 2465262
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 26232502
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55722848
(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24538398
azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24515046
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 27794928) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is SYKMBMZXBGPIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3S/c1-27(16-22(29)26-19-9-5-8-18(25)14-19)23(30)21-15-20(17-6-3-2-4-7-17)24(32-21)28-10-12-31-13-11-28/h2-9,14-15H,10-13,16H2,1H3,(H,26,29).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 27794928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).