N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide

C24H25N3OS — CID 60587255

IUPACN-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C(c1ccccc1)N1CCSCC1
InChIInChI=1S/C24H25N3OS/c28-24(23(19-7-3-1-4-8-19)27-15-17-29-18-16-27)26-22-13-11-21(12-14-22)25-20-9-5-2-6-10-20/h1-14,23,25H,15-18H2,(H,26,28)
InChIKeyWPHUZTBSCRAKSP-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.16
Rot. Bonds6

About N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide

N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide (PubChem CID 60587255) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
PubChem CID60587255
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC NameN-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C(c1ccccc1)N1CCSCC1
InChIInChI=1S/C24H25N3OS/c28-24(23(19-7-3-1-4-8-19)27-15-17-29-18-16-27)26-22-13-11-21(12-14-22)25-20-9-5-2-6-10-20/h1-14,23,25H,15-18H2,(H,26,28)
InChIKeyWPHUZTBSCRAKSP-UHFFFAOYSA-N
XLogP5.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 86898690
1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 119907322
N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119384567
N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119508146
(2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide
CID 94537942
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47074211
(2S)-1-(4-acetylpiperazin-1-yl)-2-phenyl-2-thiomorpholin-4-ylethanone
CID 95151755
N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride
CID 120505334
N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119996171
2-[4-(2-methylpropoxy)piperidin-1-yl]-N,2-diphenylacetamide
CID 154774838
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 46662933
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 32701204

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide (CID 60587255) is N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide is O=C(Nc1ccc(Nc2ccccc2)cc1)C(c1ccccc1)N1CCSCC1.
What is the InChIKey of N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide?
The InChIKey is WPHUZTBSCRAKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c28-24(23(19-7-3-1-4-8-19)27-15-17-29-18-16-27)26-22-13-11-21(12-14-22)25-20-9-5-2-6-10-20/h1-14,23,25H,15-18H2,(H,26,28).
What are the key properties of N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide?
N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide has a molecular weight of 403.55 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 60587255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).