(2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide

C24H24N2O4S — CID 92575352

IUPAC(2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
SMILESNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)COc2ccccc2)CCO1
InChIInChI=1S/C24H24N2O4S/c25-23(28)24(15-18-8-10-19(11-9-18)21-7-4-14-31-21)17-26(12-13-30-24)22(27)16-29-20-5-2-1-3-6-20/h1-11,14H,12-13,15-17H2,(H2,25,28)/t24-/m0/s1
InChIKeyDLQUJAKUOLKKGL-DEOSSOPVSA-N
MW436.53 g/mol
LogP3.12
Rot. Bonds7

About (2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide

(2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92575352) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is (2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92575352
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name(2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
SMILESNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)COc2ccccc2)CCO1
InChIInChI=1S/C24H24N2O4S/c25-23(28)24(15-18-8-10-19(11-9-18)21-7-4-14-31-21)17-26(12-13-30-24)22(27)16-29-20-5-2-1-3-6-20/h1-11,14H,12-13,15-17H2,(H2,25,28)/t24-/m0/s1
InChIKeyDLQUJAKUOLKKGL-DEOSSOPVSA-N
XLogP3.12
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-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

1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231275
(2S)-4-(pyridine-4-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 92571548
(2R)-4-(2-methoxyacetyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610806
(2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92586577
(2R)-4-propanoyl-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849061
(2S)-4-(2,2-dimethylpropanoyl)-N-methyl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849030
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770875
(2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849059
(2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849041
(2R)-2-[(3-phenylphenyl)methyl]-4-propanoylmorpholine-2-carboxamide
CID 92585376
(2S)-4-(cyclobutanecarbonyl)-N,N-dimethyl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849045
4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233463

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide (CID 92575352) is (2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide is NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)COc2ccccc2)CCO1.
What is the InChIKey of (2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is DLQUJAKUOLKKGL-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24N2O4S/c25-23(28)24(15-18-8-10-19(11-9-18)21-7-4-14-31-21)17-26(12-13-30-24)22(27)16-29-20-5-2-1-3-6-20/h1-11,14H,12-13,15-17H2,(H2,25,28)/t24-/m0/s1.
What are the key properties of (2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide?
(2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92575352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).