2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide

C13H19NO3S — CID 107689562

IUPAC2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1c(O)cccc1O
InChIInChI=1S/C13H19NO3S/c1-4-9(8-18-3)14(2)13(17)12-10(15)6-5-7-11(12)16/h5-7,9,15-16H,4,8H2,1-3H3
InChIKeyHQHCPIGOZCCVBZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.31
Rot. Bonds5

About 2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide

2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide (PubChem CID 107689562) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
PubChem CID107689562
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1c(O)cccc1O
InChIInChI=1S/C13H19NO3S/c1-4-9(8-18-3)14(2)13(17)12-10(15)6-5-7-11(12)16/h5-7,9,15-16H,4,8H2,1-3H3
InChIKeyHQHCPIGOZCCVBZ-UHFFFAOYSA-N
XLogP2.31
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide
CID 107689068
2-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 112657921
2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103526844
2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551572
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide
CID 107034211
4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659645
5-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-nitrobenzamide
CID 107076447
3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112656391
6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 112551556
4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659238
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 112664138
4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551619

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide (CID 107689562) is 2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide is CCC(CSC)N(C)C(=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is HQHCPIGOZCCVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-9(8-18-3)14(2)13(17)12-10(15)6-5-7-11(12)16/h5-7,9,15-16H,4,8H2,1-3H3.
What are the key properties of 2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 269.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 107689562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).