N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide

C11H17NO2S — CID 75385718

IUPACN-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC(O)C(C)C
InChIInChI=1S/C11H17NO2S/c1-7(2)10(13)4-12-11(14)9-6-15-5-8(9)3/h5-7,10,13H,4H2,1-3H3,(H,12,14)
InChIKeyOSOVNQVXHTVRDO-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.80
Rot. Bonds4

About N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide

N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide (PubChem CID 75385718) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide
PubChem CID75385718
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC(O)C(C)C
InChIInChI=1S/C11H17NO2S/c1-7(2)10(13)4-12-11(14)9-6-15-5-8(9)3/h5-7,10,13H,4H2,1-3H3,(H,12,14)
InChIKeyOSOVNQVXHTVRDO-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide (CID 75385718) is N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NCC(O)C(C)C.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide?
The InChIKey is OSOVNQVXHTVRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-7(2)10(13)4-12-11(14)9-6-15-5-8(9)3/h5-7,10,13H,4H2,1-3H3,(H,12,14).
What are the key properties of N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide?
N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 75385718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).