N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide

C20H24N2OS — CID 119935530

IUPACN-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2OS/c23-20(14-18-15-24-12-11-21-18)22-19(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-10,18-19,21H,11-15H2,(H,22,23)
InChIKeyQLWGSJRTDVVPHG-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.18
Rot. Bonds6

About N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide

N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119935530) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide
PubChem CID119935530
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC NameN-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2OS/c23-20(14-18-15-24-12-11-21-18)22-19(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-10,18-19,21H,11-15H2,(H,22,23)
InChIKeyQLWGSJRTDVVPHG-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66422867
N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide
CID 119937245
N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 66421232
methyl 2-methyl-3-phenyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoate
CID 119940444
N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938079
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119940274
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
N-[1-(2-fluorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119936755
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide (CID 119935530) is N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is QLWGSJRTDVVPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c23-20(14-18-15-24-12-11-21-18)22-19(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-10,18-19,21H,11-15H2,(H,22,23).
What are the key properties of N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide?
N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 340.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119935530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).