N-methoxy-N,3,4-trimethylthiophene-2-carboxamide

C9H13NO2S — CID 10536001

IUPACN-methoxy-N,3,4-trimethylthiophene-2-carboxamide
SMILESCON(C)C(=O)c1scc(C)c1C
InChIInChI=1S/C9H13NO2S/c1-6-5-13-8(7(6)2)9(11)10(3)12-4/h5H,1-4H3
InChIKeyGXWRQDONNIBITP-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.00
Rot. Bonds2

About N-methoxy-N,3,4-trimethylthiophene-2-carboxamide

N-methoxy-N,3,4-trimethylthiophene-2-carboxamide (PubChem CID 10536001) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is N-methoxy-N,3,4-trimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,3,4-trimethylthiophene-2-carboxamide
PubChem CID10536001
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC NameN-methoxy-N,3,4-trimethylthiophene-2-carboxamide
SMILESCON(C)C(=O)c1scc(C)c1C
InChIInChI=1S/C9H13NO2S/c1-6-5-13-8(7(6)2)9(11)10(3)12-4/h5H,1-4H3
InChIKeyGXWRQDONNIBITP-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.00
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

3,4-dimethylthiophene-2-carboxamide
CID 140551630
ethane;N-methoxy-N,5,5-trimethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide
CID 143467172
4-iodo-N-methoxy-N-methylthiophene-2-carboxamide
CID 156842877
tert-butyl 5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 114748276
N,3,5-trimethoxy-N,4-dimethylbenzamide
CID 23137896
2,4-dibromo-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide
CID 164902665
N-methoxy-N,3,4-trimethylbenzamide
CID 14973055
N-methoxy-N,3,5,5-tetramethyl-6,7-dihydro-4H-2-benzothiophene-1-carboxamide
CID 143467174
N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide
CID 66335744
4-bromo-N-methoxy-N,2,5-trimethylbenzamide
CID 123460356
4-chloro-N-methoxy-N-methyl-3-oxo-1,2-thiazole-5-carboxamide
CID 130683669
5-fluoro-N-methoxy-N,2,4-trimethylbenzamide
CID 89047148

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,3,4-trimethylthiophene-2-carboxamide?
The IUPAC name of N-methoxy-N,3,4-trimethylthiophene-2-carboxamide (CID 10536001) is N-methoxy-N,3,4-trimethylthiophene-2-carboxamide.
What is the SMILES notation for N-methoxy-N,3,4-trimethylthiophene-2-carboxamide?
The canonical SMILES for N-methoxy-N,3,4-trimethylthiophene-2-carboxamide is CON(C)C(=O)c1scc(C)c1C.
What is the InChIKey of N-methoxy-N,3,4-trimethylthiophene-2-carboxamide?
The InChIKey is GXWRQDONNIBITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6-5-13-8(7(6)2)9(11)10(3)12-4/h5H,1-4H3.
What are the key properties of N-methoxy-N,3,4-trimethylthiophene-2-carboxamide?
N-methoxy-N,3,4-trimethylthiophene-2-carboxamide has a molecular weight of 199.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,3,4-trimethylthiophene-2-carboxamide is sourced from PubChem (CID 10536001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).