N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C18H23ClN2O2S2 — CID 119940336

IUPACN-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(-c2ccc(CNC(=O)CC3CSCCN3)s2)cc1.Cl
InChIInChI=1S/C18H22N2O2S2.ClH/c1-22-15-4-2-13(3-5-15)17-7-6-16(24-17)11-20-18(21)10-14-12-23-9-8-19-14;/h2-7,14,19H,8-12H2,1H3,(H,20,21);1H
InChIKeyYGROBNHXOSXURY-UHFFFAOYSA-N
MW398.98 g/mol
LogP3.56
Rot. Bonds6

About N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119940336) has the molecular formula C18H23ClN2O2S2 and a molecular weight of 398.98 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119940336
Molecular FormulaC18H23ClN2O2S2
Molecular Weight398.98 g/mol
Exact Mass398.09
IUPAC NameN-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(-c2ccc(CNC(=O)CC3CSCCN3)s2)cc1.Cl
InChIInChI=1S/C18H22N2O2S2.ClH/c1-22-15-4-2-13(3-5-15)17-7-6-16(24-17)11-20-18(21)10-14-12-23-9-8-19-14;/h2-7,14,19H,8-12H2,1H3,(H,20,21);1H
InChIKeyYGROBNHXOSXURY-UHFFFAOYSA-N
XLogP3.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.98
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 103821107
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938117
N-[3-(4-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937471
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939815
N-[[3-(methoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936585
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421681
N-[(3-ethoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936440
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934878
N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938649
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936443
cis-(1R,2S)-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 125118624

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119940336) is N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is COc1ccc(-c2ccc(CNC(=O)CC3CSCCN3)s2)cc1.Cl.
What is the InChIKey of N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is YGROBNHXOSXURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S2.ClH/c1-22-15-4-2-13(3-5-15)17-7-6-16(24-17)11-20-18(21)10-14-12-23-9-8-19-14;/h2-7,14,19H,8-12H2,1H3,(H,20,21);1H.
What are the key properties of N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 398.98 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119940336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).