2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide

C10H15NO2S — CID 115588265

IUPAC2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCOC(C)C(=O)NCc1sccc1C
InChIInChI=1S/C10H15NO2S/c1-7-4-5-14-9(7)6-11-10(12)8(2)13-3/h4-5,8H,6H2,1-3H3,(H,11,12)
InChIKeyKGLUBMVOEVPZGE-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.71
Rot. Bonds4

About 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide

2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide (PubChem CID 115588265) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
PubChem CID115588265
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCOC(C)C(=O)NCc1sccc1C
InChIInChI=1S/C10H15NO2S/c1-7-4-5-14-9(7)6-11-10(12)8(2)13-3/h4-5,8H,6H2,1-3H3,(H,11,12)
InChIKeyKGLUBMVOEVPZGE-UHFFFAOYSA-N
XLogP1.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylthiophen-2-yl)methylcarbamoyl]butanoic acid
CID 115186004
5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 104685344
N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43400102
2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 106151252
N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 47163720
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782
1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 78880733
methyl (2R,3S)-3-hydroxy-2-[(3-methylthiophen-2-yl)methylamino]butanoate
CID 99793358
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 111454882
2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 119280432
N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 46592818

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide (CID 115588265) is 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide is COC(C)C(=O)NCc1sccc1C.
What is the InChIKey of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is KGLUBMVOEVPZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-4-5-14-9(7)6-11-10(12)8(2)13-3/h4-5,8H,6H2,1-3H3,(H,11,12).
What are the key properties of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide?
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 213.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 115588265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).