N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide

C24H24N2O4S — CID 56774607

IUPACN-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C24H24N2O4S/c27-22(13-20-7-4-12-31-20)25-19-10-8-18(9-11-19)24(29)21-15-30-16-23(28)26(21)14-17-5-2-1-3-6-17/h1-12,21,24,29H,13-16H2,(H,25,27)/t21-,24-/m1/s1
InChIKeyDWEYOLIZNAYAQQ-ZJSXRUAMSA-N
MW436.53 g/mol
LogP3.39
Rot. Bonds7

About N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide

N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 56774607) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide
PubChem CID56774607
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C24H24N2O4S/c27-22(13-20-7-4-12-31-20)25-19-10-8-18(9-11-19)24(29)21-15-30-16-23(28)26(21)14-17-5-2-1-3-6-17/h1-12,21,24,29H,13-16H2,(H,25,27)/t21-,24-/m1/s1
InChIKeyDWEYOLIZNAYAQQ-ZJSXRUAMSA-N
XLogP3.39
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(R)-[(3R)-4-(cyclopropylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide
CID 138990889
N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide
CID 56774612
N-[4-[(R)-[(3R)-4-[(4-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 56774679
N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 56774818
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide
CID 56774641
2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide
CID 138990884
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3,3-dimethylbutanamide
CID 56774643
N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-2-methoxyacetamide
CID 56774749
N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide
CID 56774799
N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide
CID 56774739
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774659
4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 56766014

Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide (CID 56774607) is N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is DWEYOLIZNAYAQQ-ZJSXRUAMSA-N. The full InChI is InChI=1S/C24H24N2O4S/c27-22(13-20-7-4-12-31-20)25-19-10-8-18(9-11-19)24(29)21-15-30-16-23(28)26(21)14-17-5-2-1-3-6-17/h1-12,21,24,29H,13-16H2,(H,25,27)/t21-,24-/m1/s1.
What are the key properties of N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide?
N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 436.53 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 56774607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).