2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide

C11H15NOS — CID 114619039

IUPAC2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
SMILESC=C(C)CNC(=O)c1cc(C)sc1C
InChIInChI=1S/C11H15NOS/c1-7(2)6-12-11(13)10-5-8(3)14-9(10)4/h5H,1,6H2,2-4H3,(H,12,13)
InChIKeyBQASVKDIFLCVLL-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.67
Rot. Bonds3

About 2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide

2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide (PubChem CID 114619039) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
PubChem CID114619039
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
SMILESC=C(C)CNC(=O)c1cc(C)sc1C
InChIInChI=1S/C11H15NOS/c1-7(2)6-12-11(13)10-5-8(3)14-9(10)4/h5H,1,6H2,2-4H3,(H,12,13)
InChIKeyBQASVKDIFLCVLL-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide
CID 47439097
2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid
CID 43354495
N-[2-(ethylamino)-2-oxoethyl]-2,5-dimethylthiophene-3-carboxamide
CID 39969728
N-(2-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide
CID 43393371
5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide
CID 130778441
N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide
CID 60682341
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114618286
2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 107723898
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 114146362
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide
CID 114618563

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide (CID 114619039) is 2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide is C=C(C)CNC(=O)c1cc(C)sc1C.
What is the InChIKey of 2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide?
The InChIKey is BQASVKDIFLCVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-7(2)6-12-11(13)10-5-8(3)14-9(10)4/h5H,1,6H2,2-4H3,(H,12,13).
What are the key properties of 2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide?
2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide has a molecular weight of 209.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide is sourced from PubChem (CID 114619039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).