4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide

C22H28N2O3S — CID 110232934

IUPAC4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCCC(=O)N1CCOC(Cc2ccccc2-c2ccsc2)(C(=O)N(C)C)C1
InChIInChI=1S/C22H28N2O3S/c1-4-7-20(25)24-11-12-27-22(16-24,21(26)23(2)3)14-17-8-5-6-9-19(17)18-10-13-28-15-18/h5-6,8-10,13,15H,4,7,11-12,14,16H2,1-3H3
InChIKeyUIMFPBQRCKEFKW-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.44
Rot. Bonds6

About 4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide

4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 110232934) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID110232934
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCCC(=O)N1CCOC(Cc2ccccc2-c2ccsc2)(C(=O)N(C)C)C1
InChIInChI=1S/C22H28N2O3S/c1-4-7-20(25)24-11-12-27-22(16-24,21(26)23(2)3)14-17-8-5-6-9-19(17)18-10-13-28-15-18/h5-6,8-10,13,15H,4,7,11-12,14,16H2,1-3H3
InChIKeyUIMFPBQRCKEFKW-UHFFFAOYSA-N
XLogP3.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-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

Related Compounds

4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232870
4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232936
4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232947
(2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92605696
4-butanoyl-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233150
2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide
CID 110232963
4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232948
N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232871
2-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethyl-4-(2-methylpropanoyl)morpholine-2-carboxamide
CID 110232959
(2R)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605721
(2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605722
N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232941

Frequently Asked Questions

What is the IUPAC name of 4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of 4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 110232934) is 4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for 4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide is CCCC(=O)N1CCOC(Cc2ccccc2-c2ccsc2)(C(=O)N(C)C)C1.
What is the InChIKey of 4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is UIMFPBQRCKEFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-4-7-20(25)24-11-12-27-22(16-24,21(26)23(2)3)14-17-8-5-6-9-19(17)18-10-13-28-15-18/h5-6,8-10,13,15H,4,7,11-12,14,16H2,1-3H3.
What are the key properties of 4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110232934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).