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

C12H19NO3S — CID 110003125

IUPACN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide
SMILESCOCC(C)(CCO)NC(=O)c1cscc1C
InChIInChI=1S/C12H19NO3S/c1-9-6-17-7-10(9)11(15)13-12(2,4-5-14)8-16-3/h6-7,14H,4-5,8H2,1-3H3,(H,13,15)
InChIKeyAHEMTSKSAWHINE-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.57
Rot. Bonds6

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

N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide (PubChem CID 110003125) 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)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide
PubChem CID110003125
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide
SMILESCOCC(C)(CCO)NC(=O)c1cscc1C
InChIInChI=1S/C12H19NO3S/c1-9-6-17-7-10(9)11(15)13-12(2,4-5-14)8-16-3/h6-7,14H,4-5,8H2,1-3H3,(H,13,15)
InChIKeyAHEMTSKSAWHINE-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

Analyze N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-4-methylthiophene-3-carboxamide
CID 79770886
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide
CID 110003023
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 110003162
methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate
CID 79769737
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)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110002937
2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide
CID 110002765
4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110003172
N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide
CID 97246294
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002940
2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002736
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 110002826

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide (CID 110003125) is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide is COCC(C)(CCO)NC(=O)c1cscc1C.
What is the InChIKey of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide?
The InChIKey is AHEMTSKSAWHINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9-6-17-7-10(9)11(15)13-12(2,4-5-14)8-16-3/h6-7,14H,4-5,8H2,1-3H3,(H,13,15).
What are the key properties of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide?
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-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)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 110003125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).