3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide

C16H21N3O4S — CID 70717361

IUPAC3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCC(C)c1nc(CN(C)C(=O)CCS(=O)(=O)c2ccccc2)no1
InChIInChI=1S/C16H21N3O4S/c1-12(2)16-17-14(18-23-16)11-19(3)15(20)9-10-24(21,22)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyBHZDFPZSCWEXHV-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.02
Rot. Bonds7

About 3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide

3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide (PubChem CID 70717361) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
PubChem CID70717361
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCC(C)c1nc(CN(C)C(=O)CCS(=O)(=O)c2ccccc2)no1
InChIInChI=1S/C16H21N3O4S/c1-12(2)16-17-14(18-23-16)11-19(3)15(20)9-10-24(21,22)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyBHZDFPZSCWEXHV-UHFFFAOYSA-N
XLogP2.02
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide (CID 70717361) is 3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide is CC(C)c1nc(CN(C)C(=O)CCS(=O)(=O)c2ccccc2)no1.
What is the InChIKey of 3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The InChIKey is BHZDFPZSCWEXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-12(2)16-17-14(18-23-16)11-19(3)15(20)9-10-24(21,22)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3.
What are the key properties of 3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide has a molecular weight of 351.43 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide is sourced from PubChem (CID 70717361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).