4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide

C20H21F3N2O3S — CID 55795204

IUPAC4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)s1
InChIInChI=1S/C20H21F3N2O3S/c1-13-2-6-18(29-13)17(26)5-7-19(27)24-16-4-3-14(12-15(16)20(21,22)23)25-8-10-28-11-9-25/h2-4,6,12H,5,7-11H2,1H3,(H,24,27)
InChIKeyYDFHRHKKKIBNLH-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.51
Rot. Bonds6

About 4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide

4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide (PubChem CID 55795204) has the molecular formula C20H21F3N2O3S and a molecular weight of 426.46 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide
PubChem CID55795204
Molecular FormulaC20H21F3N2O3S
Molecular Weight426.46 g/mol
Exact Mass426.12
IUPAC Name4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)s1
InChIInChI=1S/C20H21F3N2O3S/c1-13-2-6-18(29-13)17(26)5-7-19(27)24-16-4-3-14(12-15(16)20(21,22)23)25-8-10-28-11-9-25/h2-4,6,12H,5,7-11H2,1H3,(H,24,27)
InChIKeyYDFHRHKKKIBNLH-UHFFFAOYSA-N
XLogP4.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 24676971
N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782372
methyl 2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]-5-morpholin-4-ylbenzoate
CID 56523428
4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide
CID 35328091
5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 8961115
N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 71883058
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide
CID 39759961
4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
CID 78878756
4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide
CID 78802755
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide
CID 55788373
4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide
CID 4827584
5-bromo-N-methyl-N-[2-(2-methyl-4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 55853377

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide (CID 55795204) is 4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide?
The InChIKey is YDFHRHKKKIBNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3S/c1-13-2-6-18(29-13)17(26)5-7-19(27)24-16-4-3-14(12-15(16)20(21,22)23)25-8-10-28-11-9-25/h2-4,6,12H,5,7-11H2,1H3,(H,24,27).
What are the key properties of 4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide?
4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide has a molecular weight of 426.46 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 55795204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).