N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide

C13H21NO3S — CID 71787269

IUPACN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide
SMILESCSCCC(C)(O)CNC(=O)c1cc(C)oc1C
InChIInChI=1S/C13H21NO3S/c1-9-7-11(10(2)17-9)12(15)14-8-13(3,16)5-6-18-4/h7,16H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyDOGWUJDQYCNJTB-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.13
Rot. Bonds6

About N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide

N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 71787269) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID71787269
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide
SMILESCSCCC(C)(O)CNC(=O)c1cc(C)oc1C
InChIInChI=1S/C13H21NO3S/c1-9-7-11(10(2)17-9)12(15)14-8-13(3,16)5-6-18-4/h7,16H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyDOGWUJDQYCNJTB-UHFFFAOYSA-N
XLogP2.13
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-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-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 95984269
N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 111485177
N-(4-bromo-2,2-dimethylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 106143435
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 52907034
2-chloro-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
CID 95984298
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-oxochromene-3-carboxamide
CID 95984367
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiophene-2-carboxamide
CID 95984279
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide
CID 71787283
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2,5-dimethylfuran-3-carboxamide
CID 71781805
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 95982851
N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide
CID 106250540
3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
CID 95984312

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide (CID 71787269) is N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide is CSCCC(C)(O)CNC(=O)c1cc(C)oc1C.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is DOGWUJDQYCNJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-9-7-11(10(2)17-9)12(15)14-8-13(3,16)5-6-18-4/h7,16H,5-6,8H2,1-4H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide?
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 271.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 71787269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).