(2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate

C19H21NO5S — CID 35586379

IUPAC(2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate
SMILESCCOc1ccccc1COC(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H21NO5S/c1-2-24-18-9-4-3-6-15(18)13-25-19(21)14-7-5-8-17(12-14)26(22,23)20-16-10-11-16/h3-9,12,16,20H,2,10-11,13H2,1H3
InChIKeyRBZICJTVMXAWNX-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.88
Rot. Bonds8

About (2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate

(2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate (PubChem CID 35586379) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate
PubChem CID35586379
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name(2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate
SMILESCCOc1ccccc1COC(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H21NO5S/c1-2-24-18-9-4-3-6-15(18)13-25-19(21)14-7-5-8-17(12-14)26(22,23)20-16-10-11-16/h3-9,12,16,20H,2,10-11,13H2,1H3
InChIKeyRBZICJTVMXAWNX-UHFFFAOYSA-N
XLogP2.88
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate
CID 55475628
(2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate
CID 2603742
3-(cyclopentylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 46581452
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 43025432
[2-oxo-2-(1-phenylbutylamino)ethyl] 3-(cyclopropylsulfamoyl)benzoate
CID 55369094
3-(cyclohexylsulfamoyl)-N-(2-ethylphenyl)benzamide
CID 109063388
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(cyclopropylsulfamoyl)benzoate
CID 55476079
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(cyclopropylsulfamoyl)benzoate
CID 46535324
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991073
4-(1,3-dioxoisoindol-2-yl)butyl 3-(cyclopropylsulfamoyl)benzoate
CID 46535308
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)benzoate
CID 46809010

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate?
The IUPAC name of (2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate (CID 35586379) is (2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate.
What is the SMILES notation for (2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate?
The canonical SMILES for (2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate is CCOc1ccccc1COC(=O)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of (2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate?
The InChIKey is RBZICJTVMXAWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-2-24-18-9-4-3-6-15(18)13-25-19(21)14-7-5-8-17(12-14)26(22,23)20-16-10-11-16/h3-9,12,16,20H,2,10-11,13H2,1H3.
What are the key properties of (2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate?
(2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate has a molecular weight of 375.45 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate is sourced from PubChem (CID 35586379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).