N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide

C20H25ClN2O5S — CID 55504436

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)Oc2ccc(OC)cc2)ccc1Cl
InChIInChI=1S/C20H25ClN2O5S/c1-5-23(6-2)29(25,26)19-13-15(7-12-18(19)21)22-20(24)14(3)28-17-10-8-16(27-4)9-11-17/h7-14H,5-6H2,1-4H3,(H,22,24)
InChIKeyZWRUHPNRDRXLJZ-UHFFFAOYSA-N
MW440.95 g/mol
LogP3.79
Rot. Bonds9

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 55504436) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID55504436
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)Oc2ccc(OC)cc2)ccc1Cl
InChIInChI=1S/C20H25ClN2O5S/c1-5-23(6-2)29(25,26)19-13-15(7-12-18(19)21)22-20(24)14(3)28-17-10-8-16(27-4)9-11-17/h7-14H,5-6H2,1-4H3,(H,22,24)
InChIKeyZWRUHPNRDRXLJZ-UHFFFAOYSA-N
XLogP3.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119679906
(2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 7892595
(2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119679919
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]pentanamide
CID 119266241
2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 55792391
(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methoxyphenoxy)propanamide
CID 41477177
2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 41153673
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510482
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide
CID 112781624
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 7760061

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide (CID 55504436) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)Oc2ccc(OC)cc2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is ZWRUHPNRDRXLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-5-23(6-2)29(25,26)19-13-15(7-12-18(19)21)22-20(24)14(3)28-17-10-8-16(27-4)9-11-17/h7-14H,5-6H2,1-4H3,(H,22,24).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 440.95 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 55504436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).