benzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate

C19H24N2O5S — CID 110315530

IUPACbenzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate
SMILESCCNS(=O)(=O)c1ccc(OCCNC(=O)OCc2ccccc2)c(C)c1
InChIInChI=1S/C19H24N2O5S/c1-3-21-27(23,24)17-9-10-18(15(2)13-17)25-12-11-20-19(22)26-14-16-7-5-4-6-8-16/h4-10,13,21H,3,11-12,14H2,1-2H3,(H,20,22)
InChIKeyZPKSWJZTRUPQCI-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.60
Rot. Bonds9

About benzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate

benzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate (PubChem CID 110315530) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is benzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate
PubChem CID110315530
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Namebenzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate
SMILESCCNS(=O)(=O)c1ccc(OCCNC(=O)OCc2ccccc2)c(C)c1
InChIInChI=1S/C19H24N2O5S/c1-3-21-27(23,24)17-9-10-18(15(2)13-17)25-12-11-20-19(22)26-14-16-7-5-4-6-8-16/h4-10,13,21H,3,11-12,14H2,1-2H3,(H,20,22)
InChIKeyZPKSWJZTRUPQCI-UHFFFAOYSA-N
XLogP2.60
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetic acid
CID 2228874
4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 55639172
benzyl N-[2-(4-tert-butyl-2-ethenylphenoxy)ethyl]carbamate
CID 171109304
benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate
CID 172676297
2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl 4-methylbenzenesulfonate
CID 118796849
benzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate
CID 67159223
N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099923
5-(ethylsulfamoyl)-2-methoxy-N-(2-phenylethyl)benzamide
CID 19257913
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
benzyl N-(2-methylsulfonyl(1,2-13C2)ethyl)carbamate
CID 57370115
ethyl 4-[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]piperazine-1-carboxylate
CID 4315024
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 30165111

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate (CID 110315530) is benzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate is CCNS(=O)(=O)c1ccc(OCCNC(=O)OCc2ccccc2)c(C)c1.
What is the InChIKey of benzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate?
The InChIKey is ZPKSWJZTRUPQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-3-21-27(23,24)17-9-10-18(15(2)13-17)25-12-11-20-19(22)26-14-16-7-5-4-6-8-16/h4-10,13,21H,3,11-12,14H2,1-2H3,(H,20,22).
What are the key properties of benzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate?
benzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate has a molecular weight of 392.48 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate is sourced from PubChem (CID 110315530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).