3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide

C12H19NO3S — CID 54993258

IUPAC3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N(C)CC(O)COC
InChIInChI=1S/C12H19NO3S/c1-4-9-5-6-17-11(9)12(15)13(2)7-10(14)8-16-3/h5-6,10,14H,4,7-8H2,1-3H3
InChIKeyVYTURABTBNBCLE-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.39
Rot. Bonds6

About 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide

3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide (PubChem CID 54993258) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
PubChem CID54993258
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N(C)CC(O)COC
InChIInChI=1S/C12H19NO3S/c1-4-9-5-6-17-11(9)12(15)13(2)7-10(14)8-16-3/h5-6,10,14H,4,7-8H2,1-3H3
InChIKeyVYTURABTBNBCLE-UHFFFAOYSA-N
XLogP1.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide (CID 54993258) is 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide is CCc1ccsc1C(=O)N(C)CC(O)COC.
What is the InChIKey of 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide?
The InChIKey is VYTURABTBNBCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-9-5-6-17-11(9)12(15)13(2)7-10(14)8-16-3/h5-6,10,14H,4,7-8H2,1-3H3.
What are the key properties of 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide?
3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide has a molecular weight of 257.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 54993258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).