3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide

C17H21N3O4S — CID 91842616

IUPAC3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide
SMILESCN(CCc1noc(C2CC2)n1)C(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H21N3O4S/c1-20(11-9-15-18-17(24-19-15)13-7-8-13)16(21)10-12-25(22,23)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyVDQZRCKSCLZUBH-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.81
Rot. Bonds8

About 3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide

3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide (PubChem CID 91842616) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide
PubChem CID91842616
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide
SMILESCN(CCc1noc(C2CC2)n1)C(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H21N3O4S/c1-20(11-9-15-18-17(24-19-15)13-7-8-13)16(21)10-12-25(22,23)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyVDQZRCKSCLZUBH-UHFFFAOYSA-N
XLogP1.81
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide (CID 91842616) is 3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide is CN(CCc1noc(C2CC2)n1)C(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide?
The InChIKey is VDQZRCKSCLZUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-20(11-9-15-18-17(24-19-15)13-7-8-13)16(21)10-12-25(22,23)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide?
3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide has a molecular weight of 363.44 g/mol, XLogP of 1.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 91842616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).