4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide

C24H33N3O3S — CID 132672969

IUPAC4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCCN(c1ccc(C(=O)NCCCN2CCCC(C)C2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H33N3O3S/c1-3-27(31(29,30)23-10-5-4-6-11-23)22-14-12-21(13-15-22)24(28)25-16-8-18-26-17-7-9-20(2)19-26/h4-6,10-15,20H,3,7-9,16-19H2,1-2H3,(H,25,28)
InChIKeyUKGDHCBPYURRCN-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.75
Rot. Bonds9

About 4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide

4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 132672969) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is 4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
PubChem CID132672969
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC Name4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
SMILESCCN(c1ccc(C(=O)NCCCN2CCCC(C)C2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H33N3O3S/c1-3-27(31(29,30)23-10-5-4-6-11-23)22-14-12-21(13-15-22)24(28)25-16-8-18-26-17-7-9-20(2)19-26/h4-6,10-15,20H,3,7-9,16-19H2,1-2H3,(H,25,28)
InChIKeyUKGDHCBPYURRCN-UHFFFAOYSA-N
XLogP3.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide (CID 132672969) is 4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide is CCN(c1ccc(C(=O)NCCCN2CCCC(C)C2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is UKGDHCBPYURRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-3-27(31(29,30)23-10-5-4-6-11-23)22-14-12-21(13-15-22)24(28)25-16-8-18-26-17-7-9-20(2)19-26/h4-6,10-15,20H,3,7-9,16-19H2,1-2H3,(H,25,28).
What are the key properties of 4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide?
4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 443.61 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 132672969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).