N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide

C15H23NO3S — CID 103712720

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide
SMILESCOCCC(C)(O)CNC(=O)c1cccc(CSC)c1
InChIInChI=1S/C15H23NO3S/c1-15(18,7-8-19-2)11-16-14(17)13-6-4-5-12(9-13)10-20-3/h4-6,9,18H,7-8,10-11H2,1-3H3,(H,16,17)
InChIKeyCHVRNYRJZDKFDB-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.07
Rot. Bonds8

About N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide (PubChem CID 103712720) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide
PubChem CID103712720
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide
SMILESCOCCC(C)(O)CNC(=O)c1cccc(CSC)c1
InChIInChI=1S/C15H23NO3S/c1-15(18,7-8-19-2)11-16-14(17)13-6-4-5-12(9-13)10-20-3/h4-6,9,18H,7-8,10-11H2,1-3H3,(H,16,17)
InChIKeyCHVRNYRJZDKFDB-UHFFFAOYSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide
CID 103899419
N-(2,2-difluoro-3-hydroxypropyl)-3-(methylsulfanylmethyl)benzamide
CID 104858070
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
3,4-dihydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103957337
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide
CID 90522960
3-chloro-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)benzamide
CID 71787281
N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide
CID 103712673
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide
CID 103712392
4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249241
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
CID 103712743
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-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide (CID 103712720) is N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide is COCCC(C)(O)CNC(=O)c1cccc(CSC)c1.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide?
The InChIKey is CHVRNYRJZDKFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-15(18,7-8-19-2)11-16-14(17)13-6-4-5-12(9-13)10-20-3/h4-6,9,18H,7-8,10-11H2,1-3H3,(H,16,17).
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide has a molecular weight of 297.42 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 103712720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).