N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide

C16H15N3O5S — CID 7254298

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C16H15N3O5S/c1-11-4-6-12(7-5-11)25(21,22)10-8-14(20)17-16-19-18-15(24-16)13-3-2-9-23-13/h2-7,9H,8,10H2,1H3,(H,17,19,20)
InChIKeyFERZNZHRYDJJEH-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.44
Rot. Bonds6

About N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 7254298) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID7254298
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C16H15N3O5S/c1-11-4-6-12(7-5-11)25(21,22)10-8-14(20)17-16-19-18-15(24-16)13-3-2-9-23-13/h2-7,9H,8,10H2,1H3,(H,17,19,20)
InChIKeyFERZNZHRYDJJEH-UHFFFAOYSA-N
XLogP2.44
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide (CID 7254298) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is FERZNZHRYDJJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-11-4-6-12(7-5-11)25(21,22)10-8-14(20)17-16-19-18-15(24-16)13-3-2-9-23-13/h2-7,9H,8,10H2,1H3,(H,17,19,20).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 361.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 7254298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).