5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide

C20H24N4O3S — CID 53154481

IUPAC5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1c(C)c(-c2nnc(C3CC3)o2)n(C)c1C
InChIInChI=1S/C20H24N4O3S/c1-5-14-8-6-7-9-16(14)23-28(25,26)18-12(2)17(24(4)13(18)3)20-22-21-19(27-20)15-10-11-15/h6-9,15,23H,5,10-11H2,1-4H3
InChIKeyBNXFCGPHQODCIU-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.93
Rot. Bonds6

About 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide (PubChem CID 53154481) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide
PubChem CID53154481
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1c(C)c(-c2nnc(C3CC3)o2)n(C)c1C
InChIInChI=1S/C20H24N4O3S/c1-5-14-8-6-7-9-16(14)23-28(25,26)18-12(2)17(24(4)13(18)3)20-22-21-19(27-20)15-10-11-15/h6-9,15,23H,5,10-11H2,1-4H3
InChIKeyBNXFCGPHQODCIU-UHFFFAOYSA-N
XLogP3.93
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 53154492
N-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide
CID 53154480
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide
CID 53154490
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53154925
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide
CID 95098200
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53154926
N-(2-ethylphenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175441
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide
CID 53127345
N-[(2-chloro-4-fluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide
CID 53154464
N-(2-ethylphenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068035
6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43257782
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide?
The IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide (CID 53154481) is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide is CCc1ccccc1NS(=O)(=O)c1c(C)c(-c2nnc(C3CC3)o2)n(C)c1C.
What is the InChIKey of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide?
The InChIKey is BNXFCGPHQODCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-5-14-8-6-7-9-16(14)23-28(25,26)18-12(2)17(24(4)13(18)3)20-22-21-19(27-20)15-10-11-15/h6-9,15,23H,5,10-11H2,1-4H3.
What are the key properties of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide?
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide has a molecular weight of 400.50 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53154481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).