N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide

C12H19NO2S — CID 65112566

IUPACN-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCCC(C)(O)CNC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C12H19NO2S/c1-5-12(4,15)7-13-11(14)10-6-8(2)9(3)16-10/h6,15H,5,7H2,1-4H3,(H,13,14)
InChIKeyNGMQTBUCFQECDA-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.26
Rot. Bonds4

About N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide

N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 65112566) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID65112566
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCCC(C)(O)CNC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C12H19NO2S/c1-5-12(4,15)7-13-11(14)10-6-8(2)9(3)16-10/h6,15H,5,7H2,1-4H3,(H,13,14)
InChIKeyNGMQTBUCFQECDA-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide
CID 66178965
N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 65114379
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4,5-dimethylthiophene-2-carboxamide
CID 111481571
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 79792186
N-(1-hydroxy-2-methylbutan-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 64556214
N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide
CID 30596154
N-(2-amino-2-methylpropyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 119627644
N-(2-cyanobutan-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 62401997
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide
CID 114162956
N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 43391417
N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide
CID 114296674
N-[(2R)-2-hydroxypropyl]-4,5-dimethylthiophene-2-carboxamide
CID 83031116

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide (CID 65112566) is N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide is CCC(C)(O)CNC(=O)c1cc(C)c(C)s1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is NGMQTBUCFQECDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-5-12(4,15)7-13-11(14)10-6-8(2)9(3)16-10/h6,15H,5,7H2,1-4H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide?
N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 65112566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).