N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide

C15H17NOS — CID 31494324

IUPACN-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)c(C)s2)cc1
InChIInChI=1S/C15H17NOS/c1-4-12-5-7-13(8-6-12)16-15(17)14-9-10(2)11(3)18-14/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyDZFXAFGUFRGAMD-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.18
Rot. Bonds3

About N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide

N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 31494324) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID31494324
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)c(C)s2)cc1
InChIInChI=1S/C15H17NOS/c1-4-12-5-7-13(8-6-12)16-15(17)14-9-10(2)11(3)18-14/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyDZFXAFGUFRGAMD-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057931
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65237624
5-ethyl-4-methyl-N-(4-methylphenyl)thiophene-2-carboxamide
CID 7733711
N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857781
4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide
CID 65239175
N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057768
5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79989970
N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 27228669
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650
N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 107231462

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide (CID 31494324) is N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide is CCc1ccc(NC(=O)c2cc(C)c(C)s2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is DZFXAFGUFRGAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-4-12-5-7-13(8-6-12)16-15(17)14-9-10(2)11(3)18-14/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide?
N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 259.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 31494324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).