N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide

C26H28N2O2S — CID 43008733

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O2S/c29-26(25(22-12-6-2-7-13-22)31-24-14-8-3-9-15-24)27-18-23-20-28(16-17-30-23)19-21-10-4-1-5-11-21/h1-15,23,25H,16-20H2,(H,27,29)
InChIKeyWTORCTKEEVENTQ-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.54
Rot. Bonds8

About N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide

N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 43008733) has the molecular formula C26H28N2O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID43008733
Molecular FormulaC26H28N2O2S
Molecular Weight432.59 g/mol
Exact Mass432.19
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O2S/c29-26(25(22-12-6-2-7-13-22)31-24-14-8-3-9-15-24)27-18-23-20-28(16-17-30-23)19-21-10-4-1-5-11-21/h1-15,23,25H,16-20H2,(H,27,29)
InChIKeyWTORCTKEEVENTQ-UHFFFAOYSA-N
XLogP4.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 119829814
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride
CID 119957852
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829877
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 43064031
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
CID 43022671

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide (CID 43008733) is N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide is O=C(NCC1CN(Cc2ccccc2)CCO1)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is WTORCTKEEVENTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2S/c29-26(25(22-12-6-2-7-13-22)31-24-14-8-3-9-15-24)27-18-23-20-28(16-17-30-23)19-21-10-4-1-5-11-21/h1-15,23,25H,16-20H2,(H,27,29).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 432.59 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 43008733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).