2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide

C25H21ClN2O4S — CID 43910204

IUPAC2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C25H21ClN2O4S/c1-17(32-21-9-5-8-19(26)16-21)25(29)27-20-12-14-22(15-13-20)33(30,31)28-24-11-4-7-18-6-2-3-10-23(18)24/h2-17,28H,1H3,(H,27,29)
InChIKeyNVPXZLMDTNVZJB-UHFFFAOYSA-N
MW480.97 g/mol
LogP5.70
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide

2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide (PubChem CID 43910204) has the molecular formula C25H21ClN2O4S and a molecular weight of 480.97 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
PubChem CID43910204
Molecular FormulaC25H21ClN2O4S
Molecular Weight480.97 g/mol
Exact Mass480.09
IUPAC Name2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C25H21ClN2O4S/c1-17(32-21-9-5-8-19(26)16-21)25(29)27-20-12-14-22(15-13-20)33(30,31)28-24-11-4-7-18-6-2-3-10-23(18)24/h2-17,28H,1H3,(H,27,29)
InChIKeyNVPXZLMDTNVZJB-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-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
CID 21173554
(2S)-2-(3-chlorophenoxy)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]propanamide
CID 94016242
2-(3-chlorophenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 5057660
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 94012774
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579
(2S)-2-(3-chlorophenoxy)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 41294270
2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 43916851
(2S)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 92673273
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide
CID 21366794
N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide
CID 1313437
methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate
CID 1149220

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide (CID 43910204) is 2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide?
The InChIKey is NVPXZLMDTNVZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O4S/c1-17(32-21-9-5-8-19(26)16-21)25(29)27-20-12-14-22(15-13-20)33(30,31)28-24-11-4-7-18-6-2-3-10-23(18)24/h2-17,28H,1H3,(H,27,29).
What are the key properties of 2-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide?
2-(3-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-(3-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 43910204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).