N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride

C19H28ClN3O4S — CID 119940318

IUPACN-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(N(C)C(=O)CC3CSCCN3)C2=O)c1.Cl
InChIInChI=1S/C19H27N3O4S.ClH/c1-21(18(23)8-13-12-27-7-5-20-13)17-4-6-22(19(17)24)14-9-15(25-2)11-16(10-14)26-3;/h9-11,13,17,20H,4-8,12H2,1-3H3;1H
InChIKeyLSAYXOGRWZTWOW-UHFFFAOYSA-N
MW429.97 g/mol
LogP1.78
Rot. Bonds6

About N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119940318) has the molecular formula C19H28ClN3O4S and a molecular weight of 429.97 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119940318
Molecular FormulaC19H28ClN3O4S
Molecular Weight429.97 g/mol
Exact Mass429.15
IUPAC NameN-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(N(C)C(=O)CC3CSCCN3)C2=O)c1.Cl
InChIInChI=1S/C19H27N3O4S.ClH/c1-21(18(23)8-13-12-27-7-5-20-13)17-4-6-22(19(17)24)14-9-15(25-2)11-16(10-14)26-3;/h9-11,13,17,20H,4-8,12H2,1-3H3;1H
InChIKeyLSAYXOGRWZTWOW-UHFFFAOYSA-N
XLogP1.78
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-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-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938821
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119815344
7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride
CID 119815316
3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 120611677
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
CID 119942543
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935303
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride
CID 119341758
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942526
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935607
1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one
CID 133428745
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937075

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119940318) is N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride is COc1cc(OC)cc(N2CCC(N(C)C(=O)CC3CSCCN3)C2=O)c1.Cl.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is LSAYXOGRWZTWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S.ClH/c1-21(18(23)8-13-12-27-7-5-20-13)17-4-6-22(19(17)24)14-9-15(25-2)11-16(10-14)26-3;/h9-11,13,17,20H,4-8,12H2,1-3H3;1H.
What are the key properties of N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 429.97 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119940318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).