4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide

C21H26N2OS — CID 60521527

IUPAC4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide
SMILESO=C(CCCc1ccccc1)NCc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C21H26N2OS/c24-21(8-4-7-18-5-2-1-3-6-18)22-17-19-9-11-20(12-10-19)23-13-15-25-16-14-23/h1-3,5-6,9-12H,4,7-8,13-17H2,(H,22,24)
InChIKeyAXOJZVUTPYOINV-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.88
Rot. Bonds7

About 4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide

4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide (PubChem CID 60521527) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is 4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide
PubChem CID60521527
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide
SMILESO=C(CCCc1ccccc1)NCc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C21H26N2OS/c24-21(8-4-7-18-5-2-1-3-6-18)22-17-19-9-11-20(12-10-19)23-13-15-25-16-14-23/h1-3,5-6,9-12H,4,7-8,13-17H2,(H,22,24)
InChIKeyAXOJZVUTPYOINV-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide
CID 60521526
3,3-diphenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide
CID 60521701
(4-thiomorpholin-4-ylphenyl)methylcarbamic acid
CID 66632617
2-(4-pyrrol-1-ylphenyl)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide
CID 55854175
tert-butyl N-[3-oxo-3-[(4-thiomorpholin-4-ylphenyl)methylamino]propyl]carbamate
CID 47059291
N-[4-oxo-4-[(4-thiomorpholin-4-ylphenyl)methylamino]butan-2-yl]benzamide
CID 55854816
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
1-benzyl-3-[4-(4-hydroxyphenyl)butanoylamino]urea
CID 59015915
(3-thiomorpholin-4-ylphenyl)methylcarbamic acid
CID 118480871
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide
CID 55854945
[4-[(6-phenylhexanoylamino)methyl]phenyl]boronic acid
CID 127027217

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide?
The IUPAC name of 4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide (CID 60521527) is 4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide?
The canonical SMILES for 4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide is O=C(CCCc1ccccc1)NCc1ccc(N2CCSCC2)cc1.
What is the InChIKey of 4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide?
The InChIKey is AXOJZVUTPYOINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c24-21(8-4-7-18-5-2-1-3-6-18)22-17-19-9-11-20(12-10-19)23-13-15-25-16-14-23/h1-3,5-6,9-12H,4,7-8,13-17H2,(H,22,24).
What are the key properties of 4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide?
4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide has a molecular weight of 354.52 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide is sourced from PubChem (CID 60521527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).