N-ethyl-N,2-dimethylthiophene-3-carboxamide

C9H13NOS — CID 68938475

IUPACN-ethyl-N,2-dimethylthiophene-3-carboxamide
SMILESCCN(C)C(=O)c1ccsc1C
InChIInChI=1S/C9H13NOS/c1-4-10(3)9(11)8-5-6-12-7(8)2/h5-6H,4H2,1-3H3
InChIKeyTVERRXSUKHORIW-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.15
Rot. Bonds2

About N-ethyl-N,2-dimethylthiophene-3-carboxamide

N-ethyl-N,2-dimethylthiophene-3-carboxamide (PubChem CID 68938475) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is N-ethyl-N,2-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N,2-dimethylthiophene-3-carboxamide
PubChem CID68938475
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC NameN-ethyl-N,2-dimethylthiophene-3-carboxamide
SMILESCCN(C)C(=O)c1ccsc1C
InChIInChI=1S/C9H13NOS/c1-4-10(3)9(11)8-5-6-12-7(8)2/h5-6H,4H2,1-3H3
InChIKeyTVERRXSUKHORIW-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N,4,5-trimethylthiophene-3-carboxamide
CID 130891013
bis(2-methylthiophen-3-yl)methanone
CID 101441488
N-ethyl-N,2,4-trimethylbenzamide
CID 59887663
N-ethyl-2-hydroxy-N,4-dimethylbenzamide
CID 43243493
1-(2-methylthiophen-3-yl)-2-propylpentan-1-one
CID 102839853
N-ethyl-N,3-dimethylpyridazine-4-carboxamide
CID 130684655
N-ethyl-N-methyl-4-thiophen-2-ylbenzamide
CID 141207941
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one
CID 102839400
2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one
CID 102839336
2-ethoxy-1-(2-methylthiophen-3-yl)butan-1-one
CID 102831100
2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one
CID 102831119

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-dimethylthiophene-3-carboxamide?
The IUPAC name of N-ethyl-N,2-dimethylthiophene-3-carboxamide (CID 68938475) is N-ethyl-N,2-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-ethyl-N,2-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-ethyl-N,2-dimethylthiophene-3-carboxamide is CCN(C)C(=O)c1ccsc1C.
What is the InChIKey of N-ethyl-N,2-dimethylthiophene-3-carboxamide?
The InChIKey is TVERRXSUKHORIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-4-10(3)9(11)8-5-6-12-7(8)2/h5-6H,4H2,1-3H3.
What are the key properties of N-ethyl-N,2-dimethylthiophene-3-carboxamide?
N-ethyl-N,2-dimethylthiophene-3-carboxamide has a molecular weight of 183.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 68938475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).