2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide

C25H35N3O6S2 — CID 43874698

IUPAC2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C
InChIInChI=1S/C25H35N3O6S2/c1-4-27(36(32,33)23-13-14-24(34-5-2)20(3)17-23)19-25(29)26-18-21-9-11-22(12-10-21)35(30,31)28-15-7-6-8-16-28/h9-14,17H,4-8,15-16,18-19H2,1-3H3,(H,26,29)
InChIKeyALYJAMXMRYBUMZ-UHFFFAOYSA-N
MW537.70 g/mol
LogP2.90
Rot. Bonds11

About 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide

2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide (PubChem CID 43874698) has the molecular formula C25H35N3O6S2 and a molecular weight of 537.70 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
PubChem CID43874698
Molecular FormulaC25H35N3O6S2
Molecular Weight537.70 g/mol
Exact Mass537.20
IUPAC Name2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C
InChIInChI=1S/C25H35N3O6S2/c1-4-27(36(32,33)23-13-14-24(34-5-2)20(3)17-23)19-25(29)26-18-21-9-11-22(12-10-21)35(30,31)28-15-7-6-8-16-28/h9-14,17H,4-8,15-16,18-19H2,1-3H3,(H,26,29)
InChIKeyALYJAMXMRYBUMZ-UHFFFAOYSA-N
XLogP2.90
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.70
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248719
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28561386
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874695
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875114
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562876
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28561285
2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43874647
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874524
2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874677
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100796976
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2-chlorophenyl)methyl]acetamide
CID 45373880

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide (CID 43874698) is 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C.
What is the InChIKey of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is ALYJAMXMRYBUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O6S2/c1-4-27(36(32,33)23-13-14-24(34-5-2)20(3)17-23)19-25(29)26-18-21-9-11-22(12-10-21)35(30,31)28-15-7-6-8-16-28/h9-14,17H,4-8,15-16,18-19H2,1-3H3,(H,26,29).
What are the key properties of 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 537.70 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 43874698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).