2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide

C24H26N2O4S — CID 3954255

IUPAC2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
SMILESCCOc1ccc(N(C(C)C(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-30-21-16-14-20(15-17-21)26(31(3,28)29)18(2)24(27)25-23-13-9-8-12-22(23)19-10-6-5-7-11-19/h5-18H,4H2,1-3H3,(H,25,27)
InChIKeyRJLGQPIAOISCCZ-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.55
Rot. Bonds8

About 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide

2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide (PubChem CID 3954255) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
PubChem CID3954255
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
SMILESCCOc1ccc(N(C(C)C(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-30-21-16-14-20(15-17-21)26(31(3,28)29)18(2)24(27)25-23-13-9-8-12-22(23)19-10-6-5-7-11-19/h5-18H,4H2,1-3H3,(H,25,27)
InChIKeyRJLGQPIAOISCCZ-UHFFFAOYSA-N
XLogP4.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1322346
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 7342420
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
CID 21372170
2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 126029750
(2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 126269148
N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913303
2-[[(2S)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]-N-(2-methylpropyl)benzamide
CID 982429
2-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]-N-(2-methylpropyl)benzamide
CID 4088711
(2R)-N-(2-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1203934
methyl 3-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]-2-methylbenzoate
CID 126266508
(2S)-N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333488
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40823003

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide (CID 3954255) is 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide is CCOc1ccc(N(C(C)C(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide?
The InChIKey is RJLGQPIAOISCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-4-30-21-16-14-20(15-17-21)26(31(3,28)29)18(2)24(27)25-23-13-9-8-12-22(23)19-10-6-5-7-11-19/h5-18H,4H2,1-3H3,(H,25,27).
What are the key properties of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide?
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide has a molecular weight of 438.55 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 3954255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).