N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride

C16H20Cl2N2O2S — CID 154903609

IUPACN-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride
SMILESCN(Cc1sc2ccccc2c1Cl)C(=O)CC1CNCCO1.Cl
InChIInChI=1S/C16H19ClN2O2S.ClH/c1-19(15(20)8-11-9-18-6-7-21-11)10-14-16(17)12-4-2-3-5-13(12)22-14;/h2-5,11,18H,6-10H2,1H3;1H
InChIKeyKEULFUWPTRXEMA-UHFFFAOYSA-N
MW375.32 g/mol
LogP3.31
Rot. Bonds4

About N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride

N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride (PubChem CID 154903609) has the molecular formula C16H20Cl2N2O2S and a molecular weight of 375.32 g/mol. Its IUPAC name is N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride
PubChem CID154903609
Molecular FormulaC16H20Cl2N2O2S
Molecular Weight375.32 g/mol
Exact Mass374.06
IUPAC NameN-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride
SMILESCN(Cc1sc2ccccc2c1Cl)C(=O)CC1CNCCO1.Cl
InChIInChI=1S/C16H19ClN2O2S.ClH/c1-19(15(20)8-11-9-18-6-7-21-11)10-14-16(17)12-4-2-3-5-13(12)22-14;/h2-5,11,18H,6-10H2,1H3;1H
InChIKeyKEULFUWPTRXEMA-UHFFFAOYSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 125174979
N-[(2-chlorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66429544
N-methyl-N-[(2-methylphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66433193
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
CID 95221460
N-methyl-2-morpholin-2-yl-N-[(4-phenoxyphenyl)methyl]acetamide
CID 70776717
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66428059
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66427007
N-methyl-N-[(3-methylphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66429127
N-methyl-2-morpholin-2-yl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119680862
N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 66428762
2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915001
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 77092764

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride (CID 154903609) is N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride is CN(Cc1sc2ccccc2c1Cl)C(=O)CC1CNCCO1.Cl.
What is the InChIKey of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride?
The InChIKey is KEULFUWPTRXEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S.ClH/c1-19(15(20)8-11-9-18-6-7-21-11)10-14-16(17)12-4-2-3-5-13(12)22-14;/h2-5,11,18H,6-10H2,1H3;1H.
What are the key properties of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride?
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride has a molecular weight of 375.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 154903609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).