N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide

C16H23N3O2S — CID 119936283

IUPACN-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CC2CSCCN2)c1
InChIInChI=1S/C16H23N3O2S/c1-11(13-4-3-5-14(8-13)19-12(2)20)18-16(21)9-15-10-22-7-6-17-15/h3-5,8,11,15,17H,6-7,9-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKFJLIUAWUVNQGG-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.92
Rot. Bonds5

About N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide

N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119936283) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119936283
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CC2CSCCN2)c1
InChIInChI=1S/C16H23N3O2S/c1-11(13-4-3-5-14(8-13)19-12(2)20)18-16(21)9-15-10-22-7-6-17-15/h3-5,8,11,15,17H,6-7,9-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKFJLIUAWUVNQGG-UHFFFAOYSA-N
XLogP1.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-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-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936282
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942551
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937616
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935893
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421239
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937198

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 119936283) is N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide is CC(=O)Nc1cccc(C(C)NC(=O)CC2CSCCN2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is KFJLIUAWUVNQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11(13-4-3-5-14(8-13)19-12(2)20)18-16(21)9-15-10-22-7-6-17-15/h3-5,8,11,15,17H,6-7,9-10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 321.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119936283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).