2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide

C9H13NO2S — CID 60776039

IUPAC2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCOCC(=O)NCc1ccc(C)s1
InChIInChI=1S/C9H13NO2S/c1-7-3-4-8(13-7)5-10-9(11)6-12-2/h3-4H,5-6H2,1-2H3,(H,10,11)
InChIKeyMGJFESLOQWEMPL-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.32
Rot. Bonds4

About 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide

2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 60776039) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID60776039
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCOCC(=O)NCc1ccc(C)s1
InChIInChI=1S/C9H13NO2S/c1-7-3-4-8(13-7)5-10-9(11)6-12-2/h3-4H,5-6H2,1-2H3,(H,10,11)
InChIKeyMGJFESLOQWEMPL-UHFFFAOYSA-N
XLogP1.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
methyl 4-[(5-methylthiophen-2-yl)methylamino]-4-oxobutanoate
CID 110733948
3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 110733947
2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62055681
N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 62058099
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 47043670
7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide
CID 55029800
6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide
CID 62058651
4-[3-[(5-methylthiophen-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119180358
2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 62475607
5-[[4-(5-methylthiophen-2-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110444
N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924305

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 60776039) is 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide is COCC(=O)NCc1ccc(C)s1.
What is the InChIKey of 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is MGJFESLOQWEMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7-3-4-8(13-7)5-10-9(11)6-12-2/h3-4H,5-6H2,1-2H3,(H,10,11).
What are the key properties of 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide?
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 199.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 60776039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).