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

C20H24N4O3S — CID 53154926

IUPAC4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2c(-c3nnc(C4CC4)o3)c(C)n(C)c2C)c1
InChIInChI=1S/C20H24N4O3S/c1-11-6-7-12(2)16(10-11)23-28(25,26)18-14(4)24(5)13(3)17(18)20-22-21-19(27-20)15-8-9-15/h6-7,10,15,23H,8-9H2,1-5H3
InChIKeyAWHKIWNEEXJYIQ-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.99
Rot. Bonds5

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

4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide (PubChem CID 53154926) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
PubChem CID53154926
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2c(-c3nnc(C4CC4)o3)c(C)n(C)c2C)c1
InChIInChI=1S/C20H24N4O3S/c1-11-6-7-12(2)16(10-11)23-28(25,26)18-14(4)24(5)13(3)17(18)20-22-21-19(27-20)15-8-9-15/h6-7,10,15,23H,8-9H2,1-5H3
InChIKeyAWHKIWNEEXJYIQ-UHFFFAOYSA-N
XLogP3.99
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide?
The IUPAC name of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide (CID 53154926) is 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide?
The canonical SMILES for 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2c(-c3nnc(C4CC4)o3)c(C)n(C)c2C)c1.
What is the InChIKey of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide?
The InChIKey is AWHKIWNEEXJYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-11-6-7-12(2)16(10-11)23-28(25,26)18-14(4)24(5)13(3)17(18)20-22-21-19(27-20)15-8-9-15/h6-7,10,15,23H,8-9H2,1-5H3.
What are the key properties of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide?
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide has a molecular weight of 400.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53154926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).