N-methoxy-N,5-dimethylthiophene-2-carboxamide

C8H11NO2S — CID 10845216

IUPACN-methoxy-N,5-dimethylthiophene-2-carboxamide
SMILESCON(C)C(=O)c1ccc(C)s1
InChIInChI=1S/C8H11NO2S/c1-6-4-5-7(12-6)8(10)9(2)11-3/h4-5H,1-3H3
InChIKeyQXLYHESQCOQIEN-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.69
Rot. Bonds2

About N-methoxy-N,5-dimethylthiophene-2-carboxamide

N-methoxy-N,5-dimethylthiophene-2-carboxamide (PubChem CID 10845216) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is N-methoxy-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,5-dimethylthiophene-2-carboxamide
PubChem CID10845216
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC NameN-methoxy-N,5-dimethylthiophene-2-carboxamide
SMILESCON(C)C(=O)c1ccc(C)s1
InChIInChI=1S/C8H11NO2S/c1-6-4-5-7(12-6)8(10)9(2)11-3/h4-5H,1-3H3
InChIKeyQXLYHESQCOQIEN-UHFFFAOYSA-N
XLogP1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methylthiophene-2-carboxamide
CID 819552
N-Methoxy-N-methyl-2-thiophenecarboxamide
CID 3613942
N-[(5-Acetyl-2-thienyl)methyl]acetamide
CID 7131592
(5-Ethylthiophen-2-yl)(pyrrolidin-1-yl)methanone
CID 1246054
2-Thiophenecarboxamide, N,N-dimethyl-
CID 141583
Thiophene-2-carboxamide, N-ethyl-N-butyl-
CID 2164665
N,N-diethylthiophene-2-carboxamide
CID 962897
5-((Dimethylamino)methyl)thiophene-2-carbaldehyde
CID 20098929
N-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 71785232
(2-Ethylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 78783962
N,N-di(propan-2-yl)thiophene-2-carboxamide
CID 792123
5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 45840376

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-methoxy-N,5-dimethylthiophene-2-carboxamide (CID 10845216) is N-methoxy-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-methoxy-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-methoxy-N,5-dimethylthiophene-2-carboxamide is CON(C)C(=O)c1ccc(C)s1.
What is the InChIKey of N-methoxy-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is QXLYHESQCOQIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-6-4-5-7(12-6)8(10)9(2)11-3/h4-5H,1-3H3.
What are the key properties of N-methoxy-N,5-dimethylthiophene-2-carboxamide?
N-methoxy-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 185.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 10845216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).