ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate

C18H22N2O5S — CID 17383331

IUPACethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-2-24-18(21)19-14-15-8-10-17(11-9-15)26(22,23)20-12-13-25-16-6-4-3-5-7-16/h3-11,20H,2,12-14H2,1H3,(H,19,21)
InChIKeyHQPABRMWJBNMGW-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.29
Rot. Bonds9

About ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate

ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate (PubChem CID 17383331) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate
PubChem CID17383331
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Nameethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-2-24-18(21)19-14-15-8-10-17(11-9-15)26(22,23)20-12-13-25-16-6-4-3-5-7-16/h3-11,20H,2,12-14H2,1H3,(H,19,21)
InChIKeyHQPABRMWJBNMGW-UHFFFAOYSA-N
XLogP2.29
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.29
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

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methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate
CID 847829
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 3858812
ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
CID 108883312
benzyl N-[(4-ethylsulfonylphenyl)methyl]carbamate
CID 110784595
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(4-methylphenoxy)butanamide
CID 108759077
2-methyl-1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(3-phenoxypropyl)guanidine
CID 111418459
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 108736002

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate (CID 17383331) is ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate is CCOC(=O)NCc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1.
What is the InChIKey of ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate?
The InChIKey is HQPABRMWJBNMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-2-24-18(21)19-14-15-8-10-17(11-9-15)26(22,23)20-12-13-25-16-6-4-3-5-7-16/h3-11,20H,2,12-14H2,1H3,(H,19,21).
What are the key properties of ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate?
ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate has a molecular weight of 378.45 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate is sourced from PubChem (CID 17383331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).