N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide

C15H17NO2S — CID 107736172

IUPACN-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(C)c(C)s1)c1cccc(O)c1
InChIInChI=1S/C15H17NO2S/c1-4-16(12-6-5-7-13(17)9-12)15(18)14-8-10(2)11(3)19-14/h5-9,17H,4H2,1-3H3
InChIKeyLBHZESOWQLXXKV-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.74
Rot. Bonds3

About N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide

N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 107736172) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID107736172
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(C)c(C)s1)c1cccc(O)c1
InChIInChI=1S/C15H17NO2S/c1-4-16(12-6-5-7-13(17)9-12)15(18)14-8-10(2)11(3)19-14/h5-9,17H,4H2,1-3H3
InChIKeyLBHZESOWQLXXKV-UHFFFAOYSA-N
XLogP3.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-hydroxyphenyl)-4-methylthiophene-3-carboxamide
CID 107736404
N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107735686
5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide
CID 107735567
2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid
CID 60831160
N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
CID 65237675
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
2-amino-N-ethyl-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107734903
4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 113221701
2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid
CID 60831132
2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide
CID 107733294
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
N-ethyl-N-(3-hydroxyphenyl)-5-methylpyridine-3-carboxamide
CID 107736486

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide (CID 107736172) is N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide is CCN(C(=O)c1cc(C)c(C)s1)c1cccc(O)c1.
What is the InChIKey of N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is LBHZESOWQLXXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-4-16(12-6-5-7-13(17)9-12)15(18)14-8-10(2)11(3)19-14/h5-9,17H,4H2,1-3H3.
What are the key properties of N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide?
N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 275.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 107736172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).