N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide

C21H26N2OS — CID 58938041

IUPACN-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide
SMILESO=C(CN1CCSCC1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2OS/c24-21(17-23-13-15-25-16-14-23)22-12-11-20(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20H,11-17H2,(H,22,24)
InChIKeyFRHDTZZEQSZFEK-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.37
Rot. Bonds7

About N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide

N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide (PubChem CID 58938041) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide
PubChem CID58938041
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC NameN-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide
SMILESO=C(CN1CCSCC1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2OS/c24-21(17-23-13-15-25-16-14-23)22-12-11-20(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20H,11-17H2,(H,22,24)
InChIKeyFRHDTZZEQSZFEK-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-diphenylpropyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801327
N-(3,3-diphenylpropyl)-2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 69448825
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 103813654
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3,3-diphenylpropyl)acetamide
CID 7935615
N-(3,3-diphenylpropyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014704
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
CID 119853604
N-(3,3-diphenylpropyl)-2-(4-methoxy-1,3-dihydroisoindol-2-yl)acetamide
CID 69451417
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 30737553
N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 109002098
2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide
CID 52666297
2-(4,4-dimethyl-2-oxopiperazin-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride
CID 11429950

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide (CID 58938041) is N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide is O=C(CN1CCSCC1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide?
The InChIKey is FRHDTZZEQSZFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c24-21(17-23-13-15-25-16-14-23)22-12-11-20(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20H,11-17H2,(H,22,24).
What are the key properties of N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide?
N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide has a molecular weight of 354.52 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 58938041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).