N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide

C17H20N2O4S — CID 51253817

IUPACN-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)COc1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-13(14-8-10-16(11-9-14)24(18,21)22)19(2)17(20)12-23-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H2,18,21,22)
InChIKeyCQIXDTHAOKARBL-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.93
Rot. Bonds6

About N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide

N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 51253817) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID51253817
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)COc1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-13(14-8-10-16(11-9-14)24(18,21)22)19(2)17(20)12-23-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H2,18,21,22)
InChIKeyCQIXDTHAOKARBL-UHFFFAOYSA-N
XLogP1.93
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253861
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
CID 75870195
4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253829
2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24683025
3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 42919947
(E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 17480995
3-amino-N,2-dimethyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 119689419
3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 43074821
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide
CID 86925373
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
CID 75869937
N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 55789846

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (CID 51253817) is N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)COc1ccccc1.
What is the InChIKey of N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is CQIXDTHAOKARBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13(14-8-10-16(11-9-14)24(18,21)22)19(2)17(20)12-23-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H2,18,21,22).
What are the key properties of N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 51253817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).