N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide

C14H21NO4S — CID 103801417

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC(C)C(CO)SC
InChIInChI=1S/C14H21NO4S/c1-9(12(8-16)20-4)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-7,9,12,16H,8H2,1-4H3,(H,15,17)
InChIKeyOJLOJSMSLSRPLF-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.55
Rot. Bonds7

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide (PubChem CID 103801417) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide
PubChem CID103801417
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC(C)C(CO)SC
InChIInChI=1S/C14H21NO4S/c1-9(12(8-16)20-4)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-7,9,12,16H,8H2,1-4H3,(H,15,17)
InChIKeyOJLOJSMSLSRPLF-UHFFFAOYSA-N
XLogP1.55
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3,5-dimethoxy-4-methylbenzamide
CID 97235379
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamoyl]-3,6-dimethylbenzoic acid
CID 106155702
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide
CID 103798708
N-(4-bromobutan-2-yl)-2,6-dimethoxybenzamide
CID 83179704
2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798809
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(3-methylphenyl)urea
CID 113240160
6-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103917016
3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbenzamide
CID 107168142
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103798985
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103799099
2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103801277
2-amino-3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 114150718

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide (CID 103801417) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NC(C)C(CO)SC.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide?
The InChIKey is OJLOJSMSLSRPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-9(12(8-16)20-4)15-14(17)13-10(18-2)6-5-7-11(13)19-3/h5-7,9,12,16H,8H2,1-4H3,(H,15,17).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide has a molecular weight of 299.39 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 103801417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).