N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide

C12H19NO2S — CID 103895410

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C12H19NO2S/c1-8-6-7-16-9(8)10(14)13-11(2,3)12(4,5)15/h6-7,15H,1-5H3,(H,13,14)
InChIKeyMOONDJCBMABRNV-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.34
Rot. Bonds3

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide (PubChem CID 103895410) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide
PubChem CID103895410
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C12H19NO2S/c1-8-6-7-16-9(8)10(14)13-11(2,3)12(4,5)15/h6-7,15H,1-5H3,(H,13,14)
InChIKeyMOONDJCBMABRNV-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide
CID 106180732
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide
CID 107845769
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methylthiophene-2-carboxamide
CID 61118833
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 103895328
[(3-methylthiophene-2-carbonyl)amino]urea
CID 63001953
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-methylthiophene-2-carboxamide
CID 86949000
tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate
CID 71986091
N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide
CID 26515720
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
CID 111452322
2-hydroxy-3,3-dimethyl-1-(3-methylthiophen-2-yl)butan-1-one
CID 103456225

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide (CID 103895410) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC(C)(C)C(C)(C)O.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is MOONDJCBMABRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-8-6-7-16-9(8)10(14)13-11(2,3)12(4,5)15/h6-7,15H,1-5H3,(H,13,14).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 103895410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).