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

C21H24N2O4S — CID 138990889

IUPACN-[4-[(R)-[(3R)-4-(cyclopropylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CC2)cc1
InChIInChI=1S/C21H24N2O4S/c24-19(10-17-2-1-9-28-17)22-16-7-5-15(6-8-16)21(26)18-12-27-13-20(25)23(18)11-14-3-4-14/h1-2,5-9,14,18,21,26H,3-4,10-13H2,(H,22,24)/t18-,21-/m1/s1
InChIKeyACHCNNZIYNUGAE-WIYYLYMNSA-N
MW400.50 g/mol
LogP2.60
Rot. Bonds7

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

N-[4-[(R)-[(3R)-4-(cyclopropylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 138990889) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[4-[(R)-[(3R)-4-(cyclopropylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[(R)-[(3R)-4-(cyclopropylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide
PubChem CID138990889
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[4-[(R)-[(3R)-4-(cyclopropylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CC2)cc1
InChIInChI=1S/C21H24N2O4S/c24-19(10-17-2-1-9-28-17)22-16-7-5-15(6-8-16)21(26)18-12-27-13-20(25)23(18)11-14-3-4-14/h1-2,5-9,14,18,21,26H,3-4,10-13H2,(H,22,24)/t18-,21-/m1/s1
InChIKeyACHCNNZIYNUGAE-WIYYLYMNSA-N
XLogP2.60
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-[(3R)-4-(cyclopropylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[(R)-[(3R)-4-(cyclopropylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide (CID 138990889) is N-[4-[(R)-[(3R)-4-(cyclopropylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[(R)-[(3R)-4-(cyclopropylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[(R)-[(3R)-4-(cyclopropylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CC2)cc1.
What is the InChIKey of N-[4-[(R)-[(3R)-4-(cyclopropylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is ACHCNNZIYNUGAE-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H24N2O4S/c24-19(10-17-2-1-9-28-17)22-16-7-5-15(6-8-16)21(26)18-12-27-13-20(25)23(18)11-14-3-4-14/h1-2,5-9,14,18,21,26H,3-4,10-13H2,(H,22,24)/t18-,21-/m1/s1.
What are the key properties of N-[4-[(R)-[(3R)-4-(cyclopropylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide?
N-[4-[(R)-[(3R)-4-(cyclopropylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 400.50 g/mol, XLogP of 2.60, 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-(cyclopropylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 138990889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).