2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride

C17H29Cl2N3O2S — CID 119869930

IUPAC2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)Nc1ccc(CN2CCSCC2)cc1C.Cl.Cl
InChIInChI=1S/C17H27N3O2S.2ClH/c1-14-11-15(13-20-6-9-23-10-7-20)3-4-16(14)19-17(21)12-18-5-8-22-2;;/h3-4,11,18H,5-10,12-13H2,1-2H3,(H,19,21);2*1H
InChIKeyDDQMYXDIKOKFPO-UHFFFAOYSA-N
MW410.41 g/mol
LogP2.56
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride

2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride (PubChem CID 119869930) has the molecular formula C17H29Cl2N3O2S and a molecular weight of 410.41 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
PubChem CID119869930
Molecular FormulaC17H29Cl2N3O2S
Molecular Weight410.41 g/mol
Exact Mass409.14
IUPAC Name2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)Nc1ccc(CN2CCSCC2)cc1C.Cl.Cl
InChIInChI=1S/C17H27N3O2S.2ClH/c1-14-11-15(13-20-6-9-23-10-7-20)3-4-16(14)19-17(21)12-18-5-8-22-2;;/h3-4,11,18H,5-10,12-13H2,1-2H3,(H,19,21);2*1H
InChIKeyDDQMYXDIKOKFPO-UHFFFAOYSA-N
XLogP2.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119869911
2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119870115
2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119890420
N-ethyl-4-[[2-(2-methoxyethylamino)acetyl]amino]-3-methylbenzamide;hydrochloride
CID 119714198
4-amino-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869979
3-(3,4-dimethoxyphenyl)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 75929503
N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119869974
2-(2-methoxyethylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119836256
N-(3-methoxy-2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119728792
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 52827023
5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79282540
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride (CID 119869930) is 2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride is COCCNCC(=O)Nc1ccc(CN2CCSCC2)cc1C.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride?
The InChIKey is DDQMYXDIKOKFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S.2ClH/c1-14-11-15(13-20-6-9-23-10-7-20)3-4-16(14)19-17(21)12-18-5-8-22-2;;/h3-4,11,18H,5-10,12-13H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride?
2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride has a molecular weight of 410.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 119869930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).