N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide

C21H27N3O7S2 — CID 24644740

IUPACN-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H27N3O7S2/c1-2-31-19-9-6-17(15-20(19)33(28,29)24-11-13-30-14-12-24)23-21(25)10-5-16-3-7-18(8-4-16)32(22,26)27/h3-4,6-9,15H,2,5,10-14H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyYBXQOZUEYZMZMS-UHFFFAOYSA-N
MW497.60 g/mol
LogP1.32
Rot. Bonds9

About N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide

N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide (PubChem CID 24644740) has the molecular formula C21H27N3O7S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide
PubChem CID24644740
Molecular FormulaC21H27N3O7S2
Molecular Weight497.60 g/mol
Exact Mass497.13
IUPAC NameN-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H27N3O7S2/c1-2-31-19-9-6-17(15-20(19)33(28,29)24-11-13-30-14-12-24)23-21(25)10-5-16-3-7-18(8-4-16)32(22,26)27/h3-4,6-9,15H,2,5,10-14H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyYBXQOZUEYZMZMS-UHFFFAOYSA-N
XLogP1.32
TPSA145.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 24620503
(2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide
CID 119693241
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 21174722
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-2-phenylpropanamide
CID 46532531
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide
CID 55655217
3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119693225
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55905013
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55841010

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide (CID 24644740) is N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide is CCOc1ccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is YBXQOZUEYZMZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O7S2/c1-2-31-19-9-6-17(15-20(19)33(28,29)24-11-13-30-14-12-24)23-21(25)10-5-16-3-7-18(8-4-16)32(22,26)27/h3-4,6-9,15H,2,5,10-14H2,1H3,(H,23,25)(H2,22,26,27).
What are the key properties of N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide?
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 497.60 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 24644740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).