N-cyclopentyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C22H28N2O4S — CID 999617

IUPACN-cyclopentyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H28N2O4S/c1-3-28-21-11-7-6-10-20(21)24(16-22(25)23-18-8-4-5-9-18)29(26,27)19-14-12-17(2)13-15-19/h6-7,10-15,18H,3-5,8-9,16H2,1-2H3,(H,23,25)
InChIKeyHTJQBXDFVLYBHS-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.65
Rot. Bonds8

About N-cyclopentyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-cyclopentyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 999617) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID999617
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-cyclopentyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H28N2O4S/c1-3-28-21-11-7-6-10-20(21)24(16-22(25)23-18-8-4-5-9-18)29(26,27)19-14-12-17(2)13-15-19/h6-7,10-15,18H,3-5,8-9,16H2,1-2H3,(H,23,25)
InChIKeyHTJQBXDFVLYBHS-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 999617) is N-cyclopentyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-cyclopentyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is HTJQBXDFVLYBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-3-28-21-11-7-6-10-20(21)24(16-22(25)23-18-8-4-5-9-18)29(26,27)19-14-12-17(2)13-15-19/h6-7,10-15,18H,3-5,8-9,16H2,1-2H3,(H,23,25).
What are the key properties of N-cyclopentyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-cyclopentyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 416.54 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 999617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).