4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide

C15H17NOS2 — CID 26086809

IUPAC4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2cccc(SC)c2)sc1C
InChIInChI=1S/C15H17NOS2/c1-4-11-8-14(19-10(11)2)15(17)16-12-6-5-7-13(9-12)18-3/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyLJQCAZWNMWNGPY-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.59
Rot. Bonds4

About 4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide

4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide (PubChem CID 26086809) has the molecular formula C15H17NOS2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide
PubChem CID26086809
Molecular FormulaC15H17NOS2
Molecular Weight291.44 g/mol
Exact Mass291.08
IUPAC Name4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2cccc(SC)c2)sc1C
InChIInChI=1S/C15H17NOS2/c1-4-11-8-14(19-10(11)2)15(17)16-12-6-5-7-13(9-12)18-3/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyLJQCAZWNMWNGPY-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 9412427
5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide
CID 9072643
1-(2,6-diethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839944
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid
CID 103791536
4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 9414960
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 47097986
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
N-(3-methylsulfanylphenyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 35826986
4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide
CID 26218789
4-ethyl-5-methyl-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 26085892
5-methyl-4-propyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 27699944

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide (CID 26086809) is 4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide is CCc1cc(C(=O)Nc2cccc(SC)c2)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide?
The InChIKey is LJQCAZWNMWNGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS2/c1-4-11-8-14(19-10(11)2)15(17)16-12-6-5-7-13(9-12)18-3/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of 4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide?
4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 26086809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).