N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide

C13H20N2O2S — CID 66429190

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide
SMILESCc1cc(CNC(=O)CC2CNCCO2)sc1C
InChIInChI=1S/C13H20N2O2S/c1-9-5-12(18-10(9)2)8-15-13(16)6-11-7-14-3-4-17-11/h5,11,14H,3-4,6-8H2,1-2H3,(H,15,16)
InChIKeyRWQSJSNXXSWFLQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.36
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide (PubChem CID 66429190) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide
PubChem CID66429190
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide
SMILESCc1cc(CNC(=O)CC2CNCCO2)sc1C
InChIInChI=1S/C13H20N2O2S/c1-9-5-12(18-10(9)2)8-15-13(16)6-11-7-14-3-4-17-11/h5,11,14H,3-4,6-8H2,1-2H3,(H,15,16)
InChIKeyRWQSJSNXXSWFLQ-UHFFFAOYSA-N
XLogP1.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-3-ylacetamide
CID 65241372
N-[(5-ethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119727879
N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119730032
N-[(5-methylfuran-2-yl)methyl]-2-morpholin-2-ylacetamide
CID 66429169
N-[(3-fluoro-4-methylphenyl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119697510
N-[(2-hydroxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 114332328
2-morpholin-2-yl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81170232
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-2-ylacetamide
CID 79236981
N-[(4-methoxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66434532
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-2-ylacetamide
CID 106047283
N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide
CID 65241369
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 125174979

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide (CID 66429190) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide is Cc1cc(CNC(=O)CC2CNCCO2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide?
The InChIKey is RWQSJSNXXSWFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-5-12(18-10(9)2)8-15-13(16)6-11-7-14-3-4-17-11/h5,11,14H,3-4,6-8H2,1-2H3,(H,15,16).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide has a molecular weight of 268.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66429190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).