N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide

C18H21ClN2O5S — CID 34190671

IUPACN-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O5S/c1-25-12-11-21-27(23,24)17-8-2-14(3-9-17)18(22)20-10-13-26-16-6-4-15(19)5-7-16/h2-9,21H,10-13H2,1H3,(H,20,22)
InChIKeyXLYPKOGZRVCZMB-UHFFFAOYSA-N
MW412.90 g/mol
LogP2.07
Rot. Bonds10

About N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide

N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 34190671) has the molecular formula C18H21ClN2O5S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID34190671
Molecular FormulaC18H21ClN2O5S
Molecular Weight412.90 g/mol
Exact Mass412.09
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O5S/c1-25-12-11-21-27(23,24)17-8-2-14(3-9-17)18(22)20-10-13-26-16-6-4-15(19)5-7-16/h2-9,21H,10-13H2,1H3,(H,20,22)
InChIKeyXLYPKOGZRVCZMB-UHFFFAOYSA-N
XLogP2.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 52.07
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

4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
CID 31829485
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24548368
1-[2-(4-chlorophenoxy)ethyl]-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea
CID 36506005
4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108759021
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 35613709
N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 34677141
4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide
CID 27302594
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31336412
ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097624
N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 119620168

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide (CID 34190671) is N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is XLYPKOGZRVCZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S/c1-25-12-11-21-27(23,24)17-8-2-14(3-9-17)18(22)20-10-13-26-16-6-4-15(19)5-7-16/h2-9,21H,10-13H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide?
N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 412.90 g/mol, XLogP of 2.07, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 34190671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).