N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide

C24H32N2O5S — CID 55395583

IUPACN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C24H32N2O5S/c1-4-31-23-10-9-21(32(28,29)26-11-13-30-14-12-26)17-22(23)25-24(27)16-20-7-5-19(6-8-20)15-18(2)3/h5-10,17-18H,4,11-16H2,1-3H3,(H,25,27)
InChIKeyHDRLWKPWGRGIMH-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.49
Rot. Bonds9

About N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide (PubChem CID 55395583) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide
PubChem CID55395583
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C24H32N2O5S/c1-4-31-23-10-9-21(32(28,29)26-11-13-30-14-12-26)17-22(23)25-24(27)16-20-7-5-19(6-8-20)15-18(2)3/h5-10,17-18H,4,11-16H2,1-3H3,(H,25,27)
InChIKeyHDRLWKPWGRGIMH-UHFFFAOYSA-N
XLogP3.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide?
The IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide (CID 55395583) is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide.
What is the SMILES notation for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide?
The canonical SMILES for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(CC(C)C)cc1.
What is the InChIKey of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide?
The InChIKey is HDRLWKPWGRGIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-4-31-23-10-9-21(32(28,29)26-11-13-30-14-12-26)17-22(23)25-24(27)16-20-7-5-19(6-8-20)15-18(2)3/h5-10,17-18H,4,11-16H2,1-3H3,(H,25,27).
What are the key properties of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide?
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide has a molecular weight of 460.60 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide is sourced from PubChem (CID 55395583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).