2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide

C23H23ClN2O5S — CID 21173686

IUPAC2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-15-4-13-22(30-3)21(14-15)26-32(28,29)20-11-7-18(8-12-20)25-23(27)16(2)31-19-9-5-17(24)6-10-19/h4-14,16,26H,1-3H3,(H,25,27)
InChIKeyKWJCPDFIIUHLHK-UHFFFAOYSA-N
MW474.97 g/mol
LogP4.86
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide

2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 21173686) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
PubChem CID21173686
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Name2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-15-4-13-22(30-3)21(14-15)26-32(28,29)20-11-7-18(8-12-20)25-23(27)16(2)31-19-9-5-17(24)6-10-19/h4-14,16,26H,1-3H3,(H,25,27)
InChIKeyKWJCPDFIIUHLHK-UHFFFAOYSA-N
XLogP4.86
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
CID 21367757
(2S)-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 99955586
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 2979779
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 2088418
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942717
(2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 26199002
2-(4-chlorophenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
CID 21173554
1-(3-chlorophenyl)-3-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]urea
CID 17052588
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide
CID 28631697
[2-[2-(4-chlorophenoxy)propanoylamino]-4-methylphenyl] acetate
CID 17361233

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide (CID 21173686) is 2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is KWJCPDFIIUHLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-15-4-13-22(30-3)21(14-15)26-32(28,29)20-11-7-18(8-12-20)25-23(27)16(2)31-19-9-5-17(24)6-10-19/h4-14,16,26H,1-3H3,(H,25,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide?
2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 474.97 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 21173686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).