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

C24H26N2O4S2 — CID 21372170

IUPAC2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
SMILESCCOc1ccc(N(C(C)C(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H26N2O4S2/c1-4-30-20-16-14-19(15-17-20)26(32(3,28)29)18(2)24(27)25-22-12-8-9-13-23(22)31-21-10-6-5-7-11-21/h5-18H,4H2,1-3H3,(H,25,27)
InChIKeyJGSFPMCXYNXUBD-UHFFFAOYSA-N
MW470.62 g/mol
LogP5.03
Rot. Bonds9

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

2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide (PubChem CID 21372170) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
PubChem CID21372170
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC Name2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
SMILESCCOc1ccc(N(C(C)C(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H26N2O4S2/c1-4-30-20-16-14-19(15-17-20)26(32(3,28)29)18(2)24(27)25-22-12-8-9-13-23(22)31-21-10-6-5-7-11-21/h5-18H,4H2,1-3H3,(H,25,27)
InChIKeyJGSFPMCXYNXUBD-UHFFFAOYSA-N
XLogP5.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 7342420
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
CID 2212233
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
CID 3954255
(2S)-N-(2-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1322346
2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 126029750
2-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]-N-(2-methylpropyl)benzamide
CID 4088711
2-[[(2S)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]-N-(2-methylpropyl)benzamide
CID 982429
(2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 126269148
N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913303
(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

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide?
The IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide (CID 21372170) is 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide?
The canonical SMILES for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide is CCOc1ccc(N(C(C)C(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide?
The InChIKey is JGSFPMCXYNXUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c1-4-30-20-16-14-19(15-17-20)26(32(3,28)29)18(2)24(27)25-22-12-8-9-13-23(22)31-21-10-6-5-7-11-21/h5-18H,4H2,1-3H3,(H,25,27).
What are the key properties of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide?
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide has a molecular weight of 470.62 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide is sourced from PubChem (CID 21372170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).