N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide

C12H19NO3S — CID 110003162

IUPACN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide
SMILESCOCC(C)(CCO)NC(=O)c1ccc(C)s1
InChIInChI=1S/C12H19NO3S/c1-9-4-5-10(17-9)11(15)13-12(2,6-7-14)8-16-3/h4-5,14H,6-8H2,1-3H3,(H,13,15)
InChIKeySIGSUVDVJJIGML-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.57
Rot. Bonds6

About N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide

N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide (PubChem CID 110003162) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide
PubChem CID110003162
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide
SMILESCOCC(C)(CCO)NC(=O)c1ccc(C)s1
InChIInChI=1S/C12H19NO3S/c1-9-4-5-10(17-9)11(15)13-12(2,6-7-14)8-16-3/h4-5,14H,6-8H2,1-3H3,(H,13,15)
InChIKeySIGSUVDVJJIGML-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide
CID 110003023
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide
CID 110003125
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002940
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110002893
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 103945941
N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 103825297
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 110002811
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 110002956
5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 103946183
2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002736
5-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 115730361
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 110003171

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide (CID 110003162) is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide is COCC(C)(CCO)NC(=O)c1ccc(C)s1.
What is the InChIKey of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is SIGSUVDVJJIGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9-4-5-10(17-9)11(15)13-12(2,6-7-14)8-16-3/h4-5,14H,6-8H2,1-3H3,(H,13,15).
What are the key properties of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide?
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 257.35 g/mol, XLogP of 1.57, 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)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 110003162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).