2-[benzyl(ethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide

C22H28ClN3O3S — CID 24980322

IUPAC2-[benzyl(ethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Cc1ccccc1
InChIInChI=1S/C22H28ClN3O3S/c1-2-25(16-18-9-5-3-6-10-18)17-22(27)24-21-15-19(11-12-20(21)23)30(28,29)26-13-7-4-8-14-26/h3,5-6,9-12,15H,2,4,7-8,13-14,16-17H2,1H3,(H,24,27)
InChIKeyTYVASEVLZKCKIJ-UHFFFAOYSA-N
MW450.00 g/mol
LogP3.98
Rot. Bonds8

About 2-[benzyl(ethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide

2-[benzyl(ethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 24980322) has the molecular formula C22H28ClN3O3S and a molecular weight of 450.00 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID24980322
Molecular FormulaC22H28ClN3O3S
Molecular Weight450.00 g/mol
Exact Mass449.15
IUPAC Name2-[benzyl(ethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Cc1ccccc1
InChIInChI=1S/C22H28ClN3O3S/c1-2-25(16-18-9-5-3-6-10-18)17-22(27)24-21-15-19(11-12-20(21)23)30(28,29)26-13-7-4-8-14-26/h3,5-6,9-12,15H,2,4,7-8,13-14,16-17H2,1H3,(H,24,27)
InChIKeyTYVASEVLZKCKIJ-UHFFFAOYSA-N
XLogP3.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.00
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 24980322) is 2-[benzyl(ethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide is CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is TYVASEVLZKCKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3S/c1-2-25(16-18-9-5-3-6-10-18)17-22(27)24-21-15-19(11-12-20(21)23)30(28,29)26-13-7-4-8-14-26/h3,5-6,9-12,15H,2,4,7-8,13-14,16-17H2,1H3,(H,24,27).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-[benzyl(ethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 450.00 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 24980322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).