N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide

C11H17NO3S — CID 75483769

IUPACN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCOCC(C)(CCO)NC(=O)c1ccsc1
InChIInChI=1S/C11H17NO3S/c1-11(4-5-13,8-15-2)12-10(14)9-3-6-16-7-9/h3,6-7,13H,4-5,8H2,1-2H3,(H,12,14)
InChIKeyHKDWFYIFUMVZDN-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.27
Rot. Bonds6

About N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide

N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide (PubChem CID 75483769) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide
PubChem CID75483769
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCOCC(C)(CCO)NC(=O)c1ccsc1
InChIInChI=1S/C11H17NO3S/c1-11(4-5-13,8-15-2)12-10(14)9-3-6-16-7-9/h3,6-7,13H,4-5,8H2,1-2H3,(H,12,14)
InChIKeyHKDWFYIFUMVZDN-UHFFFAOYSA-N
XLogP1.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide (CID 75483769) is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide is COCC(C)(CCO)NC(=O)c1ccsc1.
What is the InChIKey of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide?
The InChIKey is HKDWFYIFUMVZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(4-5-13,8-15-2)12-10(14)9-3-6-16-7-9/h3,6-7,13H,4-5,8H2,1-2H3,(H,12,14).
What are the key properties of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide?
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 75483769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).