N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide

C17H19NO4S — CID 27822055

IUPACN-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C17H19NO4S/c1-18(11-12-22-15-8-4-3-5-9-15)17(19)14-7-6-10-16(13-14)23(2,20)21/h3-10,13H,11-12H2,1-2H3
InChIKeyKPWGXKLSPMXZLU-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.24
Rot. Bonds6

About N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide

N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide (PubChem CID 27822055) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
PubChem CID27822055
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C17H19NO4S/c1-18(11-12-22-15-8-4-3-5-9-15)17(19)14-7-6-10-16(13-14)23(2,20)21/h3-10,13H,11-12H2,1-2H3
InChIKeyKPWGXKLSPMXZLU-UHFFFAOYSA-N
XLogP2.24
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide
CID 69372704
3-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 31213484
2-[methyl-(3-methylsulfonylbenzoyl)amino]acetic acid
CID 16777539
N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide
CID 39320103
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 46798216
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26994635
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9429656
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide
CID 60619049
N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38579697
2-bromo-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 103751913
3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517219

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide (CID 27822055) is N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide is CN(CCOc1ccccc1)C(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is KPWGXKLSPMXZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-18(11-12-22-15-8-4-3-5-9-15)17(19)14-7-6-10-16(13-14)23(2,20)21/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide?
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 333.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 27822055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).