N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C18H28ClN3O3S — CID 119936409

IUPACN-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCN(CC)C(=O)COc1cccc(NC(=O)CC2CSCCN2)c1.Cl
InChIInChI=1S/C18H27N3O3S.ClH/c1-3-21(4-2)18(23)12-24-16-7-5-6-14(10-16)20-17(22)11-15-13-25-9-8-19-15;/h5-7,10,15,19H,3-4,8-9,11-13H2,1-2H3,(H,20,22);1H
InChIKeyRPRMNGXXVNKNGU-UHFFFAOYSA-N
MW401.96 g/mol
LogP2.39
Rot. Bonds8

About N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119936409) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119936409
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC NameN-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCN(CC)C(=O)COc1cccc(NC(=O)CC2CSCCN2)c1.Cl
InChIInChI=1S/C18H27N3O3S.ClH/c1-3-21(4-2)18(23)12-24-16-7-5-6-14(10-16)20-17(22)11-15-13-25-9-8-19-15;/h5-7,10,15,19H,3-4,8-9,11-13H2,1-2H3,(H,20,22);1H
InChIKeyRPRMNGXXVNKNGU-UHFFFAOYSA-N
XLogP2.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941065
N-[3-[(3-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939106
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-[3-[(2-methylphenyl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939161
2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 66420618
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936406
N-[(3-ethoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936440
2-(3-acetamidophenoxy)-N,N-diethylacetamide
CID 7698145
N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66421428
N-[3-(2-phenoxyethoxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936766
(2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621119
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
CID 119936369

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119936409) is N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is CCN(CC)C(=O)COc1cccc(NC(=O)CC2CSCCN2)c1.Cl.
What is the InChIKey of N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is RPRMNGXXVNKNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S.ClH/c1-3-21(4-2)18(23)12-24-16-7-5-6-14(10-16)20-17(22)11-15-13-25-9-8-19-15;/h5-7,10,15,19H,3-4,8-9,11-13H2,1-2H3,(H,20,22);1H.
What are the key properties of N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 401.96 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119936409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).