(2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide

C24H25N3O3S — CID 95849041

IUPAC(2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2ccccn2)CCO1
InChIInChI=1S/C24H25N3O3S/c1-26(2)23(29)24(16-18-8-10-19(11-9-18)21-7-5-15-31-21)17-27(13-14-30-24)22(28)20-6-3-4-12-25-20/h3-12,15H,13-14,16-17H2,1-2H3/t24-/m0/s1
InChIKeyJZQCOYPMVVKOHM-DEOSSOPVSA-N
MW435.55 g/mol
LogP3.35
Rot. Bonds5

About (2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide

(2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 95849041) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID95849041
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name(2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2ccccn2)CCO1
InChIInChI=1S/C24H25N3O3S/c1-26(2)23(29)24(16-18-8-10-19(11-9-18)21-7-5-15-31-21)17-27(13-14-30-24)22(28)20-6-3-4-12-25-20/h3-12,15H,13-14,16-17H2,1-2H3/t24-/m0/s1
InChIKeyJZQCOYPMVVKOHM-DEOSSOPVSA-N
XLogP3.35
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-(cyclobutanecarbonyl)-N,N-dimethyl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849045
(2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605722
(2R)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605721
(2S)-4-(pyridine-4-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 92571548
1-(pyridine-2-carbonyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805695
(2S)-4-(2-methoxyacetyl)-N,N-dimethyl-2-[(4-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605651
(2R)-N,N-dimethyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605758
(2S)-4-(2,2-dimethylpropanoyl)-N-methyl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849030
(2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 92575352
(2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849059
(3R)-N-prop-2-enyl-1-(pyridine-2-carbonyl)-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92548587
(2R)-4-propanoyl-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849061

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide (CID 95849041) is (2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide is CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2ccccn2)CCO1.
What is the InChIKey of (2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is JZQCOYPMVVKOHM-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-26(2)23(29)24(16-18-8-10-19(11-9-18)21-7-5-15-31-21)17-27(13-14-30-24)22(28)20-6-3-4-12-25-20/h3-12,15H,13-14,16-17H2,1-2H3/t24-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide?
(2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 95849041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).