N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C19H29ClN2O3S — CID 119939630

IUPACN-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1ccc(NC(=O)CC2CSCCN2)cc1OCC1CCOCC1.Cl
InChIInChI=1S/C19H28N2O3S.ClH/c1-14-2-3-16(21-19(22)11-17-13-25-9-6-20-17)10-18(14)24-12-15-4-7-23-8-5-15;/h2-3,10,15,17,20H,4-9,11-13H2,1H3,(H,21,22);1H
InChIKeyDOQQEAIYCXQLQE-UHFFFAOYSA-N
MW400.97 g/mol
LogP3.26
Rot. Bonds6

About N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119939630) has the molecular formula C19H29ClN2O3S and a molecular weight of 400.97 g/mol. Its IUPAC name is N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119939630
Molecular FormulaC19H29ClN2O3S
Molecular Weight400.97 g/mol
Exact Mass400.16
IUPAC NameN-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1ccc(NC(=O)CC2CSCCN2)cc1OCC1CCOCC1.Cl
InChIInChI=1S/C19H28N2O3S.ClH/c1-14-2-3-16(21-19(22)11-17-13-25-9-6-20-17)10-18(14)24-12-15-4-7-23-8-5-15;/h2-3,10,15,17,20H,4-9,11-13H2,1H3,(H,21,22);1H
InChIKeyDOQQEAIYCXQLQE-UHFFFAOYSA-N
XLogP3.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.97
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride 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-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939214
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935518
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
2,2-dimethyl-N-[2-methyl-5-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119938998
3,3-dimethyl-5-[4-methyl-3-(oxan-4-ylmethoxy)anilino]-5-oxopentanoic acid
CID 119137975
N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936303
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942278
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936558
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940974
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119797808

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119939630) is N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cc1ccc(NC(=O)CC2CSCCN2)cc1OCC1CCOCC1.Cl.
What is the InChIKey of N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is DOQQEAIYCXQLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S.ClH/c1-14-2-3-16(21-19(22)11-17-13-25-9-6-20-17)10-18(14)24-12-15-4-7-23-8-5-15;/h2-3,10,15,17,20H,4-9,11-13H2,1H3,(H,21,22);1H.
What are the key properties of N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 400.97 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119939630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).