3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide

C26H28N2OS — CID 60521701

IUPAC3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C26H28N2OS/c29-26(19-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23)27-20-21-11-13-24(14-12-21)28-15-17-30-18-16-28/h1-14,25H,15-20H2,(H,27,29)
InChIKeyFROQGJFTFBSPPO-UHFFFAOYSA-N
MW416.59 g/mol
LogP5.08
Rot. Bonds7

About 3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide

3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide (PubChem CID 60521701) has the molecular formula C26H28N2OS and a molecular weight of 416.59 g/mol. Its IUPAC name is 3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide
PubChem CID60521701
Molecular FormulaC26H28N2OS
Molecular Weight416.59 g/mol
Exact Mass416.19
IUPAC Name3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C26H28N2OS/c29-26(19-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23)27-20-21-11-13-24(14-12-21)28-15-17-30-18-16-28/h1-14,25H,15-20H2,(H,27,29)
InChIKeyFROQGJFTFBSPPO-UHFFFAOYSA-N
XLogP5.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.59
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[4-oxo-4-[(4-thiomorpholin-4-ylphenyl)methylamino]butan-2-yl]benzamide
CID 55854816
(4-thiomorpholin-4-ylphenyl)methylcarbamic acid
CID 66632617
4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide
CID 60521527
2-(4-pyrrol-1-ylphenyl)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide
CID 55854175
N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide
CID 60521526
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]guanidine
CID 109410091
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,3-diphenylpropanamide
CID 9194490
tert-butyl N-[3-oxo-3-[(4-thiomorpholin-4-ylphenyl)methylamino]propyl]carbamate
CID 47059291
3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
CID 52691963
1-pyrazolidin-4-yl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea
CID 75134247
1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea
CID 71894125
(3R)-3-amino-4-(4-thiomorpholin-4-ylphenyl)butanoic acid
CID 131872356

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide?
The IUPAC name of 3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide (CID 60521701) is 3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide?
The canonical SMILES for 3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide is O=C(CC(c1ccccc1)c1ccccc1)NCc1ccc(N2CCSCC2)cc1.
What is the InChIKey of 3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide?
The InChIKey is FROQGJFTFBSPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2OS/c29-26(19-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23)27-20-21-11-13-24(14-12-21)28-15-17-30-18-16-28/h1-14,25H,15-20H2,(H,27,29).
What are the key properties of 3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide?
3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 416.59 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 60521701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).