5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide

C23H30N4O3S — CID 95098200

IUPAC5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide
SMILESCCc1ccc([C@H](C)NS(=O)(=O)c2c(C)c(-c3nnc(C4CCC4)o3)n(C)c2C)cc1
InChIInChI=1S/C23H30N4O3S/c1-6-17-10-12-18(13-11-17)15(3)26-31(28,29)21-14(2)20(27(5)16(21)4)23-25-24-22(30-23)19-8-7-9-19/h10-13,15,19,26H,6-9H2,1-5H3/t15-/m0/s1
InChIKeyIXQYCKCAHGWROJ-HNNXBMFYSA-N
MW442.59 g/mol
LogP4.56
Rot. Bonds7

About 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide

5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide (PubChem CID 95098200) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide
PubChem CID95098200
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC Name5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide
SMILESCCc1ccc([C@H](C)NS(=O)(=O)c2c(C)c(-c3nnc(C4CCC4)o3)n(C)c2C)cc1
InChIInChI=1S/C23H30N4O3S/c1-6-17-10-12-18(13-11-17)15(3)26-31(28,29)21-14(2)20(27(5)16(21)4)23-25-24-22(30-23)19-8-7-9-19/h10-13,15,19,26H,6-9H2,1-5H3/t15-/m0/s1
InChIKeyIXQYCKCAHGWROJ-HNNXBMFYSA-N
XLogP4.56
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide?
The IUPAC name of 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide (CID 95098200) is 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide is CCc1ccc([C@H](C)NS(=O)(=O)c2c(C)c(-c3nnc(C4CCC4)o3)n(C)c2C)cc1.
What is the InChIKey of 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide?
The InChIKey is IXQYCKCAHGWROJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-6-17-10-12-18(13-11-17)15(3)26-31(28,29)21-14(2)20(27(5)16(21)4)23-25-24-22(30-23)19-8-7-9-19/h10-13,15,19,26H,6-9H2,1-5H3/t15-/m0/s1.
What are the key properties of 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide?
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide has a molecular weight of 442.59 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 95098200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).