N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

C24H25N3O5S — CID 55900939

IUPACN-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O5S/c1-25-33(30,31)22-13-10-18(11-14-22)12-15-23(28)27-20-8-5-9-21(16-20)32-17-24(29)26-19-6-3-2-4-7-19/h2-11,13-14,16,25H,12,15,17H2,1H3,(H,26,29)(H,27,28)
InChIKeyMAPLCPGQTLUAAZ-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.18
Rot. Bonds10

About N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 55900939) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID55900939
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O5S/c1-25-33(30,31)22-13-10-18(11-14-22)12-15-23(28)27-20-8-5-9-21(16-20)32-17-24(29)26-19-6-3-2-4-7-19/h2-11,13-14,16,25H,12,15,17H2,1H3,(H,26,29)(H,27,28)
InChIKeyMAPLCPGQTLUAAZ-UHFFFAOYSA-N
XLogP3.18
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 55900939) is N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is MAPLCPGQTLUAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-25-33(30,31)22-13-10-18(11-14-22)12-15-23(28)27-20-8-5-9-21(16-20)32-17-24(29)26-19-6-3-2-4-7-19/h2-11,13-14,16,25H,12,15,17H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 467.55 g/mol, XLogP of 3.18, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 55900939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).