2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

C23H31N3O6S — CID 43055778

IUPAC2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCCOc1ccc(OCC)c(NC(C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C23H31N3O6S/c1-4-31-19-9-10-22(32-5-2)21(16-19)24-17(3)23(27)25-18-7-6-8-20(15-18)33(28,29)26-11-13-30-14-12-26/h6-10,15-17,24H,4-5,11-14H2,1-3H3,(H,25,27)
InChIKeyWNUGYBGBQBFFPB-UHFFFAOYSA-N
MW477.58 g/mol
LogP2.94
Rot. Bonds10

About 2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 43055778) has the molecular formula C23H31N3O6S and a molecular weight of 477.58 g/mol. Its IUPAC name is 2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID43055778
Molecular FormulaC23H31N3O6S
Molecular Weight477.58 g/mol
Exact Mass477.19
IUPAC Name2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCCOc1ccc(OCC)c(NC(C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C23H31N3O6S/c1-4-31-19-9-10-22(32-5-2)21(16-19)24-17(3)23(27)25-18-7-6-8-20(15-18)33(28,29)26-11-13-30-14-12-26/h6-10,15-17,24H,4-5,11-14H2,1-3H3,(H,25,27)
InChIKeyWNUGYBGBQBFFPB-UHFFFAOYSA-N
XLogP2.94
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41070554
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
2-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 3904274
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 42998392
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 55315274
(2S)-2-amino-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119268074
[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate
CID 42969863
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)pentanamide
CID 119262364
N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)anilino]propanamide
CID 4883284
(2S)-2-(2-ethoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7509820
3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7589569

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide (CID 43055778) is 2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide is CCOc1ccc(OCC)c(NC(C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is WNUGYBGBQBFFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O6S/c1-4-31-19-9-10-22(32-5-2)21(16-19)24-17(3)23(27)25-18-7-6-8-20(15-18)33(28,29)26-11-13-30-14-12-26/h6-10,15-17,24H,4-5,11-14H2,1-3H3,(H,25,27).
What are the key properties of 2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 477.58 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 43055778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).