2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide

C25H21ClN2O4S — CID 21173554

IUPAC2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C25H21ClN2O4S/c1-17(32-21-13-9-19(26)10-14-21)25(29)27-20-11-15-22(16-12-20)33(30,31)28-24-8-4-6-18-5-2-3-7-23(18)24/h2-17,28H,1H3,(H,27,29)
InChIKeyPEQNGGYNDLEOSM-UHFFFAOYSA-N
MW480.97 g/mol
LogP5.70
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide

2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide (PubChem CID 21173554) has the molecular formula C25H21ClN2O4S and a molecular weight of 480.97 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
PubChem CID21173554
Molecular FormulaC25H21ClN2O4S
Molecular Weight480.97 g/mol
Exact Mass480.09
IUPAC Name2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C25H21ClN2O4S/c1-17(32-21-13-9-19(26)10-14-21)25(29)27-20-11-15-22(16-12-20)33(30,31)28-24-8-4-6-18-5-2-3-7-23(18)24/h2-17,28H,1H3,(H,27,29)
InChIKeyPEQNGGYNDLEOSM-UHFFFAOYSA-N
XLogP5.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.97
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
CID 43910204
(2S)-2-(3-chlorophenoxy)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]propanamide
CID 94016242
2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
CID 21173686
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 4939891
(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035
methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate
CID 1149220
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-naphthalen-1-ylpropanamide
CID 1295084
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide
CID 21366794
2-(3-chlorophenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 5057660

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide (CID 21173554) is 2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide?
The InChIKey is PEQNGGYNDLEOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O4S/c1-17(32-21-13-9-19(26)10-14-21)25(29)27-20-11-15-22(16-12-20)33(30,31)28-24-8-4-6-18-5-2-3-7-23(18)24/h2-17,28H,1H3,(H,27,29).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide?
2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide has a molecular weight of 480.97 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 21173554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).