3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide

C13H17N3O4S — CID 51086083

IUPAC3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(=O)CCc1ccco1
InChIInChI=1S/C13H17N3O4S/c1-9-13(10(2)16(3)14-9)21(18,19)15-12(17)7-6-11-5-4-8-20-11/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChIKeyKBTLCKZXLHIIBU-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.07
Rot. Bonds5

About 3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide

3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide (PubChem CID 51086083) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide
PubChem CID51086083
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(=O)CCc1ccco1
InChIInChI=1S/C13H17N3O4S/c1-9-13(10(2)16(3)14-9)21(18,19)15-12(17)7-6-11-5-4-8-20-11/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChIKeyKBTLCKZXLHIIBU-UHFFFAOYSA-N
XLogP1.07
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide?
The IUPAC name of 3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide (CID 51086083) is 3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide?
The canonical SMILES for 3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide is Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)CCc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide?
The InChIKey is KBTLCKZXLHIIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-9-13(10(2)16(3)14-9)21(18,19)15-12(17)7-6-11-5-4-8-20-11/h4-5,8H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide?
3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide has a molecular weight of 311.36 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide is sourced from PubChem (CID 51086083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).