N-(2-ethoxyphenyl)-4,5-dimethylthiophene-3-carboxamide

C15H17NO2S — CID 1245175

IUPACN-(2-ethoxyphenyl)-4,5-dimethylthiophene-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1csc(C)c1C
InChIInChI=1S/C15H17NO2S/c1-4-18-14-8-6-5-7-13(14)16-15(17)12-9-19-11(3)10(12)2/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyHEDPHYBSAFDLCC-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.02
Rot. Bonds4

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

N-(2-ethoxyphenyl)-4,5-dimethylthiophene-3-carboxamide (PubChem CID 1245175) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4,5-dimethylthiophene-3-carboxamide
PubChem CID1245175
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-(2-ethoxyphenyl)-4,5-dimethylthiophene-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1csc(C)c1C
InChIInChI=1S/C15H17NO2S/c1-4-18-14-8-6-5-7-13(14)16-15(17)12-9-19-11(3)10(12)2/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyHEDPHYBSAFDLCC-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4,5-dimethylthiophene-3-carboxamide (CID 1245175) is N-(2-ethoxyphenyl)-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4,5-dimethylthiophene-3-carboxamide is CCOc1ccccc1NC(=O)c1csc(C)c1C.
What is the InChIKey of N-(2-ethoxyphenyl)-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is HEDPHYBSAFDLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-4-18-14-8-6-5-7-13(14)16-15(17)12-9-19-11(3)10(12)2/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of N-(2-ethoxyphenyl)-4,5-dimethylthiophene-3-carboxamide?
N-(2-ethoxyphenyl)-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 275.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 1245175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).