3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide

C13H19NO2S — CID 113366826

IUPAC3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
SMILESCSCCC(C)N(C)C(=O)c1cccc(O)c1
InChIInChI=1S/C13H19NO2S/c1-10(7-8-17-3)14(2)13(16)11-5-4-6-12(15)9-11/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyKBPOUVLECBEGHO-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.61
Rot. Bonds5

About 3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide

3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide (PubChem CID 113366826) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
PubChem CID113366826
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
SMILESCSCCC(C)N(C)C(=O)c1cccc(O)c1
InChIInChI=1S/C13H19NO2S/c1-10(7-8-17-3)14(2)13(16)11-5-4-6-12(15)9-11/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyKBPOUVLECBEGHO-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112660294
3-bromo-4-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 103707593
3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044546
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-hydroxy-N-methylbenzamide
CID 76987839
2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115683356
3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113461448
4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115869170
N-methyl-4-(methylamino)-N-(4-methylsulfanylbutan-2-yl)-3-nitrobenzamide
CID 115637136
6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 113304887
4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-3-nitrobenzamide
CID 115636279
6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 115669895
N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide
CID 80665697

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide (CID 113366826) is 3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide is CSCCC(C)N(C)C(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is KBPOUVLECBEGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10(7-8-17-3)14(2)13(16)11-5-4-6-12(15)9-11/h4-6,9-10,15H,7-8H2,1-3H3.
What are the key properties of 3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide?
3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 253.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 113366826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).