3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide

C24H33N3O6S — CID 43039374

IUPAC3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CC(NC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C24H33N3O6S/c1-6-27(7-2)34(30,31)20-13-14-23(33-8-3)22(15-20)26-24(29)16-21(25-17(4)28)18-9-11-19(32-5)12-10-18/h9-15,21H,6-8,16H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyROHUXQMJCPJETH-UHFFFAOYSA-N
MW491.61 g/mol
LogP3.33
Rot. Bonds12

About 3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide

3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 43039374) has the molecular formula C24H33N3O6S and a molecular weight of 491.61 g/mol. Its IUPAC name is 3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID43039374
Molecular FormulaC24H33N3O6S
Molecular Weight491.61 g/mol
Exact Mass491.21
IUPAC Name3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CC(NC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C24H33N3O6S/c1-6-27(7-2)34(30,31)20-13-14-23(33-8-3)22(15-20)26-24(29)16-21(25-17(4)28)18-9-11-19(32-5)12-10-18/h9-15,21H,6-8,16H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyROHUXQMJCPJETH-UHFFFAOYSA-N
XLogP3.33
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(methylamino)acetamide
CID 119683526
3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 134027323
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methoxyphenoxy)propanamide
CID 41477177
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide
CID 95133505
(3S)-3-acetamido-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(4-methoxyphenyl)propanamide
CID 29491391
(3R)-3-acetamido-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(4-methoxyphenyl)propanamide
CID 29491389
3-acetamido-N-(2-ethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17436555
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide
CID 46535117
4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride
CID 119268072

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide (CID 43039374) is 3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide is CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CC(NC(C)=O)c1ccc(OC)cc1.
What is the InChIKey of 3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is ROHUXQMJCPJETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6S/c1-6-27(7-2)34(30,31)20-13-14-23(33-8-3)22(15-20)26-24(29)16-21(25-17(4)28)18-9-11-19(32-5)12-10-18/h9-15,21H,6-8,16H2,1-5H3,(H,25,28)(H,26,29).
What are the key properties of 3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide?
3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 491.61 g/mol, XLogP of 3.33, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 43039374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).