(2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide

C23H30N2O3S — CID 95849059

IUPAC(2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C(C)C)CCO1
InChIInChI=1S/C23H30N2O3S/c1-16(2)21(26)25-11-12-28-23(15-25,22(27)24-17(3)4)14-18-7-9-19(10-8-18)20-6-5-13-29-20/h5-10,13,16-17H,11-12,14-15H2,1-4H3,(H,24,27)/t23-/m1/s1
InChIKeyFUWSMFVSEZOFQJ-HSZRJFAPSA-N
MW414.57 g/mol
LogP3.74
Rot. Bonds6

About (2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide

(2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 95849059) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is (2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID95849059
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name(2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C(C)C)CCO1
InChIInChI=1S/C23H30N2O3S/c1-16(2)21(26)25-11-12-28-23(15-25,22(27)24-17(3)4)14-18-7-9-19(10-8-18)20-6-5-13-29-20/h5-10,13,16-17H,11-12,14-15H2,1-4H3,(H,24,27)/t23-/m1/s1
InChIKeyFUWSMFVSEZOFQJ-HSZRJFAPSA-N
XLogP3.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-3-thiophen-3-ylpropanoyl]amino]pentanamide
CID 155565602
2-methoxy-N-[1-(4-thiophen-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 134801148
3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 60182066
3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 71689458
3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 75360975
(2R)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 92572512
(2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 92572513
(2R,3R)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 95739743
(2R,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 95739744
(2S,3R)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 95739745
(2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 95739746
(2R,3R)-3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 95739886

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide (CID 95849059) is (2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide is CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C(C)C)CCO1.
What is the InChIKey of (2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is FUWSMFVSEZOFQJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-16(2)21(26)25-11-12-28-23(15-25,22(27)24-17(3)4)14-18-7-9-19(10-8-18)20-6-5-13-29-20/h5-10,13,16-17H,11-12,14-15H2,1-4H3,(H,24,27)/t23-/m1/s1.
What are the key properties of (2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide?
(2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 95849059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).