ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate

C19H23NO5S — CID 17465115

IUPACethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N(C)CCOc2ccccc2C)cc1
InChIInChI=1S/C19H23NO5S/c1-4-24-19(21)16-9-11-17(12-10-16)26(22,23)20(3)13-14-25-18-8-6-5-7-15(18)2/h5-12H,4,13-14H2,1-3H3
InChIKeyNQCZESBCFDGWND-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.87
Rot. Bonds8

About ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate

ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate (PubChem CID 17465115) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate
PubChem CID17465115
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Nameethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N(C)CCOc2ccccc2C)cc1
InChIInChI=1S/C19H23NO5S/c1-4-24-19(21)16-9-11-17(12-10-16)26(22,23)20(3)13-14-25-18-8-6-5-7-15(18)2/h5-12H,4,13-14H2,1-3H3
InChIKeyNQCZESBCFDGWND-UHFFFAOYSA-N
XLogP2.87
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 9271702
4-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544444
2-[benzenesulfonyl(methyl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 55623064
ethyl 4-[[benzenesulfonyl(methyl)amino]methyl]benzoate
CID 100553127
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide
CID 9218220
ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride
CID 119992233
(2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate
CID 2603742
3-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544458
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260129
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544462

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate (CID 17465115) is ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)N(C)CCOc2ccccc2C)cc1.
What is the InChIKey of ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate?
The InChIKey is NQCZESBCFDGWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-4-24-19(21)16-9-11-17(12-10-16)26(22,23)20(3)13-14-25-18-8-6-5-7-15(18)2/h5-12H,4,13-14H2,1-3H3.
What are the key properties of ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate?
ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate has a molecular weight of 377.46 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate is sourced from PubChem (CID 17465115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).