N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride

C11H16BrClN2O2S — CID 119730032

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CNCCO1)NCc1ccc(Br)s1
InChIInChI=1S/C11H15BrN2O2S.ClH/c12-10-2-1-9(17-10)7-14-11(15)5-8-6-13-3-4-16-8;/h1-2,8,13H,3-7H2,(H,14,15);1H
InChIKeyDXGHGXAILDXKFY-UHFFFAOYSA-N
MW355.69 g/mol
LogP1.93
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride

N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride (PubChem CID 119730032) has the molecular formula C11H16BrClN2O2S and a molecular weight of 355.69 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
PubChem CID119730032
Molecular FormulaC11H16BrClN2O2S
Molecular Weight355.69 g/mol
Exact Mass353.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CNCCO1)NCc1ccc(Br)s1
InChIInChI=1S/C11H15BrN2O2S.ClH/c12-10-2-1-9(17-10)7-14-11(15)5-8-6-13-3-4-16-8;/h1-2,8,13H,3-7H2,(H,14,15);1H
InChIKeyDXGHGXAILDXKFY-UHFFFAOYSA-N
XLogP1.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.69
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119727879
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide
CID 66429190
N-[(2-hydroxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 114332328
2-morpholin-2-yl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81170232
N-[(5-methylfuran-2-yl)methyl]-2-morpholin-2-ylacetamide
CID 66429169
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 125174979
N-(1,3-benzothiazol-2-ylmethyl)-2-[(2R)-morpholin-2-yl]acetamide
CID 124515478
N-[(4-methoxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66434532
N-[(3-fluoro-4-methylphenyl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119697510
2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide
CID 66426771
N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide
CID 99940782
2-morpholin-2-yl-N-thiophen-3-ylacetamide;hydrochloride
CID 119788958

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride (CID 119730032) is N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CNCCO1)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride?
The InChIKey is DXGHGXAILDXKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S.ClH/c12-10-2-1-9(17-10)7-14-11(15)5-8-6-13-3-4-16-8;/h1-2,8,13H,3-7H2,(H,14,15);1H.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride?
N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride has a molecular weight of 355.69 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119730032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).