N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

C21H26ClN3O3S — CID 4786581

IUPACN-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClN3O3S/c1-24(29(27,28)20-9-7-18(22)8-10-20)16-21(26)23-19-11-13-25(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-16H2,1H3,(H,23,26)
InChIKeyHZTPYIISKLDEAS-UHFFFAOYSA-N
MW435.98 g/mol
LogP2.74
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 4786581) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
PubChem CID4786581
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClN3O3S/c1-24(29(27,28)20-9-7-18(22)8-10-20)16-21(26)23-19-11-13-25(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-16H2,1H3,(H,23,26)
InChIKeyHZTPYIISKLDEAS-UHFFFAOYSA-N
XLogP2.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (CID 4786581) is N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is HZTPYIISKLDEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-24(29(27,28)20-9-7-18(22)8-10-20)16-21(26)23-19-11-13-25(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-16H2,1H3,(H,23,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 435.98 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 4786581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).