2-methoxy-N-methyl-3-methylsulfanylbenzamide

C10H13NO2S — CID 69493076

IUPAC2-methoxy-N-methyl-3-methylsulfanylbenzamide
SMILESCNC(=O)c1cccc(SC)c1OC
InChIInChI=1S/C10H13NO2S/c1-11-10(12)7-5-4-6-8(14-3)9(7)13-2/h4-6H,1-3H3,(H,11,12)
InChIKeySCPQJAIDLAGVTE-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.78
Rot. Bonds3

About 2-methoxy-N-methyl-3-methylsulfanylbenzamide

2-methoxy-N-methyl-3-methylsulfanylbenzamide (PubChem CID 69493076) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-methoxy-N-methyl-3-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-3-methylsulfanylbenzamide
PubChem CID69493076
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-methoxy-N-methyl-3-methylsulfanylbenzamide
SMILESCNC(=O)c1cccc(SC)c1OC
InChIInChI=1S/C10H13NO2S/c1-11-10(12)7-5-4-6-8(14-3)9(7)13-2/h4-6H,1-3H3,(H,11,12)
InChIKeySCPQJAIDLAGVTE-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide
CID 166792418
ethane;2-methoxy-N-methyl-3-nitrobenzamide
CID 143076658
2-hydroxysulfanyl-N-methylbenzamide
CID 91017491
methyl 2-amino-3-methylsulfanylbenzoate
CID 75481794
3-amino-N-methyl-2-propan-2-yloxybenzamide
CID 154814948
N-(2-methoxyethyl)-2-methylsulfanylbenzamide
CID 5090487
N-methyl-2-naphthalen-1-ylsulfanylbenzamide
CID 2801926
1-bromo-2-methoxy-3-methylsulfanylbenzene
CID 91880733
1-chloro-2-methoxy-3-methylsulfanylbenzene
CID 91880715
3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 156722490
methyl 2-(2-methylsulfanylphenyl)-2-oxoacetate
CID 14145191
2-methoxycarbonyl-3-methylsulfanylbenzoic acid
CID 91880800

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-3-methylsulfanylbenzamide?
The IUPAC name of 2-methoxy-N-methyl-3-methylsulfanylbenzamide (CID 69493076) is 2-methoxy-N-methyl-3-methylsulfanylbenzamide.
What is the SMILES notation for 2-methoxy-N-methyl-3-methylsulfanylbenzamide?
The canonical SMILES for 2-methoxy-N-methyl-3-methylsulfanylbenzamide is CNC(=O)c1cccc(SC)c1OC.
What is the InChIKey of 2-methoxy-N-methyl-3-methylsulfanylbenzamide?
The InChIKey is SCPQJAIDLAGVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-11-10(12)7-5-4-6-8(14-3)9(7)13-2/h4-6H,1-3H3,(H,11,12).
What are the key properties of 2-methoxy-N-methyl-3-methylsulfanylbenzamide?
2-methoxy-N-methyl-3-methylsulfanylbenzamide has a molecular weight of 211.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-3-methylsulfanylbenzamide is sourced from PubChem (CID 69493076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).