N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide

C22H29N3O3S — CID 50820985

IUPACN-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
SMILESCC(CN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29N3O3S/c1-19(20-8-4-2-5-9-20)18-24(22(26)21-10-6-3-7-11-21)16-17-29(27,28)25-14-12-23-13-15-25/h2-11,19,23H,12-18H2,1H3
InChIKeyDGAULQYQDOXEAI-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.17
Rot. Bonds8

About N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide

N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide (PubChem CID 50820985) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
PubChem CID50820985
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
SMILESCC(CN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29N3O3S/c1-19(20-8-4-2-5-9-20)18-24(22(26)21-10-6-3-7-11-21)16-17-29(27,28)25-14-12-23-13-15-25/h2-11,19,23H,12-18H2,1H3
InChIKeyDGAULQYQDOXEAI-UHFFFAOYSA-N
XLogP2.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The IUPAC name of N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide (CID 50820985) is N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide.
What is the SMILES notation for N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The canonical SMILES for N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide is CC(CN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The InChIKey is DGAULQYQDOXEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-19(20-8-4-2-5-9-20)18-24(22(26)21-10-6-3-7-11-21)16-17-29(27,28)25-14-12-23-13-15-25/h2-11,19,23H,12-18H2,1H3.
What are the key properties of N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide has a molecular weight of 415.56 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide is sourced from PubChem (CID 50820985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).