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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).