N-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide

C23H31N3O2S — CID 86898690

IUPACN-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCN(C)CCCOc1ccc(NC(=O)C(c2ccccc2)N2CCSCC2)cc1
InChIInChI=1S/C23H31N3O2S/c1-25(2)13-6-16-28-21-11-9-20(10-12-21)24-23(27)22(19-7-4-3-5-8-19)26-14-17-29-18-15-26/h3-5,7-12,22H,6,13-18H2,1-2H3,(H,24,27)
InChIKeyMOKPFXLVPNVUDG-UHFFFAOYSA-N
MW413.59 g/mol
LogP3.75
Rot. Bonds9

About N-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide

N-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide (PubChem CID 86898690) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
PubChem CID86898690
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC NameN-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCN(C)CCCOc1ccc(NC(=O)C(c2ccccc2)N2CCSCC2)cc1
InChIInChI=1S/C23H31N3O2S/c1-25(2)13-6-16-28-21-11-9-20(10-12-21)24-23(27)22(19-7-4-3-5-8-19)26-14-17-29-18-15-26/h3-5,7-12,22H,6,13-18H2,1-2H3,(H,24,27)
InChIKeyMOKPFXLVPNVUDG-UHFFFAOYSA-N
XLogP3.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide 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-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 60587255
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86964025
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylpropanamide
CID 119844203
N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119384567
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658314
N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119508146
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide
CID 86898258
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47074211
1-(4-butoxyphenyl)-3-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]urea
CID 124878555
4-[4-[[(2S)-2-phenylpropanoyl]amino]phenoxy]butanoic acid
CID 120688439
N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119996171
(3S,4S)-1-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120648

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide (CID 86898690) is N-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide is CN(C)CCCOc1ccc(NC(=O)C(c2ccccc2)N2CCSCC2)cc1.
What is the InChIKey of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The InChIKey is MOKPFXLVPNVUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-25(2)13-6-16-28-21-11-9-20(10-12-21)24-23(27)22(19-7-4-3-5-8-19)26-14-17-29-18-15-26/h3-5,7-12,22H,6,13-18H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide has a molecular weight of 413.59 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-phenyl-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 86898690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).