N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide

C14H20N2O2S — CID 66420261

IUPACN-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESCOc1cc(C)ccc1NC(=O)CC1CSCCN1
InChIInChI=1S/C14H20N2O2S/c1-10-3-4-12(13(7-10)18-2)16-14(17)8-11-9-19-6-5-15-11/h3-4,7,11,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyQKYWNUREUXFQFD-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.04
Rot. Bonds4

About N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide

N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66420261) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66420261
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESCOc1cc(C)ccc1NC(=O)CC1CSCCN1
InChIInChI=1S/C14H20N2O2S/c1-10-3-4-12(13(7-10)18-2)16-14(17)8-11-9-19-6-5-15-11/h3-4,7,11,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyQKYWNUREUXFQFD-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxy-4-methylphenyl)-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

2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide
CID 119938248
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119937517
N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
5-methoxy-2-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 115411406
methyl 3-(difluoromethoxy)-4-[(2-thiomorpholin-3-ylacetyl)amino]benzoate
CID 119939096
N-(4-bromo-2-methoxy-6-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422239
N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide
CID 119940311
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938014
N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119940162
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119941665
N-(2-acetamido-5-bromophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938069

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide (CID 66420261) is N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide is COc1cc(C)ccc1NC(=O)CC1CSCCN1.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is QKYWNUREUXFQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-3-4-12(13(7-10)18-2)16-14(17)8-11-9-19-6-5-15-11/h3-4,7,11,15H,5-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide?
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 280.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).