N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide

C16H20N4O4S — CID 131891229

IUPACN-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
SMILESCCN(Cc1cnn(CC)c1)S(=O)(=O)c1cc(-c2ccno2)oc1C
InChIInChI=1S/C16H20N4O4S/c1-4-19-10-13(9-17-19)11-20(5-2)25(21,22)16-8-15(23-12(16)3)14-6-7-18-24-14/h6-10H,4-5,11H2,1-3H3
InChIKeyWFUVXMSLTKWTEO-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.67
Rot. Bonds7

About N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide

N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide (PubChem CID 131891229) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
PubChem CID131891229
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
SMILESCCN(Cc1cnn(CC)c1)S(=O)(=O)c1cc(-c2ccno2)oc1C
InChIInChI=1S/C16H20N4O4S/c1-4-19-10-13(9-17-19)11-20(5-2)25(21,22)16-8-15(23-12(16)3)14-6-7-18-24-14/h6-10H,4-5,11H2,1-3H3
InChIKeyWFUVXMSLTKWTEO-UHFFFAOYSA-N
XLogP2.67
TPSA94.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide?
The IUPAC name of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide (CID 131891229) is N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide?
The canonical SMILES for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide is CCN(Cc1cnn(CC)c1)S(=O)(=O)c1cc(-c2ccno2)oc1C.
What is the InChIKey of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide?
The InChIKey is WFUVXMSLTKWTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-4-19-10-13(9-17-19)11-20(5-2)25(21,22)16-8-15(23-12(16)3)14-6-7-18-24-14/h6-10H,4-5,11H2,1-3H3.
What are the key properties of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide?
N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide has a molecular weight of 364.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide is sourced from PubChem (CID 131891229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).