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

C25H26N2O5S — CID 78150569

IUPACN-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CN2C(=O)COC(c3ccc(NC(=O)Cc4cccs4)cc3)C2CO)cc1
InChIInChI=1S/C25H26N2O5S/c1-31-20-10-4-17(5-11-20)14-27-22(15-28)25(32-16-24(27)30)18-6-8-19(9-7-18)26-23(29)13-21-3-2-12-33-21/h2-12,22,25,28H,13-16H2,1H3,(H,26,29)
InChIKeyLFWQUIXMEMSHJP-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.40
Rot. Bonds8

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

N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 78150569) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide
PubChem CID78150569
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC NameN-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CN2C(=O)COC(c3ccc(NC(=O)Cc4cccs4)cc3)C2CO)cc1
InChIInChI=1S/C25H26N2O5S/c1-31-20-10-4-17(5-11-20)14-27-22(15-28)25(32-16-24(27)30)18-6-8-19(9-7-18)26-23(29)13-21-3-2-12-33-21/h2-12,22,25,28H,13-16H2,1H3,(H,26,29)
InChIKeyLFWQUIXMEMSHJP-UHFFFAOYSA-N
XLogP3.40
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide (CID 78150569) is N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide is COc1ccc(CN2C(=O)COC(c3ccc(NC(=O)Cc4cccs4)cc3)C2CO)cc1.
What is the InChIKey of N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is LFWQUIXMEMSHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-31-20-10-4-17(5-11-20)14-27-22(15-28)25(32-16-24(27)30)18-6-8-19(9-7-18)26-23(29)13-21-3-2-12-33-21/h2-12,22,25,28H,13-16H2,1H3,(H,26,29).
What are the key properties of N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide?
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 466.56 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 78150569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).