N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide

C12H17NO4S — CID 69372704

IUPACN-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide
SMILESCOCCN(C)C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C12H17NO4S/c1-13(7-8-17-2)12(14)10-5-4-6-11(9-10)18(3,15)16/h4-6,9H,7-8H2,1-3H3
InChIKeyDGRMFLLMPFPETF-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.81
Rot. Bonds5

About N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide

N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide (PubChem CID 69372704) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide
PubChem CID69372704
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide
SMILESCOCCN(C)C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C12H17NO4S/c1-13(7-8-17-2)12(14)10-5-4-6-11(9-10)18(3,15)16/h4-6,9H,7-8H2,1-3H3
InChIKeyDGRMFLLMPFPETF-UHFFFAOYSA-N
XLogP0.81
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 27822055
N-(2-chloro-3-methoxypropyl)-N-methyl-3-methylsulfonylbenzamide
CID 63398083
3-iodo-N-(2-methoxyethyl)-N-methylbenzamide
CID 61072173
2-[methyl-(3-methylsulfonylbenzoyl)amino]acetic acid
CID 16777539
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 26826251
N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 39972148
N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
CID 81485805
N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide
CID 60619049
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 18111551
tert-butyl 3-[2-methoxyethyl(methyl)carbamoyl]benzoate
CID 138647733
N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide
CID 109063745
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide (CID 69372704) is N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide is COCCN(C)C(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide?
The InChIKey is DGRMFLLMPFPETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-13(7-8-17-2)12(14)10-5-4-6-11(9-10)18(3,15)16/h4-6,9H,7-8H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide?
N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide has a molecular weight of 271.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 69372704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).