2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide

C12H17NO5S — CID 78924906

IUPAC2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCOc1cccc(C(=O)N(C)CCS(C)(=O)=O)c1O
InChIInChI=1S/C12H17NO5S/c1-13(7-8-19(3,16)17)12(15)9-5-4-6-10(18-2)11(9)14/h4-6,14H,7-8H2,1-3H3
InChIKeyRZEBCCPFAXNXPW-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.52
Rot. Bonds5

About 2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide

2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide (PubChem CID 78924906) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
PubChem CID78924906
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCOc1cccc(C(=O)N(C)CCS(C)(=O)=O)c1O
InChIInChI=1S/C12H17NO5S/c1-13(7-8-19(3,16)17)12(15)9-5-4-6-10(18-2)11(9)14/h4-6,14H,7-8H2,1-3H3
InChIKeyRZEBCCPFAXNXPW-UHFFFAOYSA-N
XLogP0.52
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide
CID 113239185
N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 43458368
N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 112792660
3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
CID 79842599
N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 60628184
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 105418504
3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide
CID 79864806
2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide
CID 60655994
2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 60832023
2-hydroxy-N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 43420679
2-hydroxy-3-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63234295
N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide
CID 43136539

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide (CID 78924906) is 2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide is COc1cccc(C(=O)N(C)CCS(C)(=O)=O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is RZEBCCPFAXNXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-13(7-8-19(3,16)17)12(15)9-5-4-6-10(18-2)11(9)14/h4-6,14H,7-8H2,1-3H3.
What are the key properties of 2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide?
2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 287.34 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 78924906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).