5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(3-methylphenyl)pyrrole-3-sulfonamide

C18H22N4O3S — CID 53154473

IUPAC5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(3-methylphenyl)pyrrole-3-sulfonamide
SMILESCCc1nnc(-c2c(C)c(S(=O)(=O)Nc3cccc(C)c3)c(C)n2C)o1
InChIInChI=1S/C18H22N4O3S/c1-6-15-19-20-18(25-15)16-12(3)17(13(4)22(16)5)26(23,24)21-14-9-7-8-11(2)10-14/h7-10,21H,6H2,1-5H3
InChIKeyBDPPQWULYWMYED-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.36
Rot. Bonds5

About 5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(3-methylphenyl)pyrrole-3-sulfonamide

5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(3-methylphenyl)pyrrole-3-sulfonamide (PubChem CID 53154473) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(3-methylphenyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(3-methylphenyl)pyrrole-3-sulfonamide
PubChem CID53154473
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(3-methylphenyl)pyrrole-3-sulfonamide
SMILESCCc1nnc(-c2c(C)c(S(=O)(=O)Nc3cccc(C)c3)c(C)n2C)o1
InChIInChI=1S/C18H22N4O3S/c1-6-15-19-20-18(25-15)16-12(3)17(13(4)22(16)5)26(23,24)21-14-9-7-8-11(2)10-14/h7-10,21H,6H2,1-5H3
InChIKeyBDPPQWULYWMYED-UHFFFAOYSA-N
XLogP3.36
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(3-methylphenyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(3-methylphenyl)pyrrole-3-sulfonamide (CID 53154473) is 5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(3-methylphenyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(3-methylphenyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(3-methylphenyl)pyrrole-3-sulfonamide is CCc1nnc(-c2c(C)c(S(=O)(=O)Nc3cccc(C)c3)c(C)n2C)o1.
What is the InChIKey of 5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(3-methylphenyl)pyrrole-3-sulfonamide?
The InChIKey is BDPPQWULYWMYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-6-15-19-20-18(25-15)16-12(3)17(13(4)22(16)5)26(23,24)21-14-9-7-8-11(2)10-14/h7-10,21H,6H2,1-5H3.
What are the key properties of 5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(3-methylphenyl)pyrrole-3-sulfonamide?
5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(3-methylphenyl)pyrrole-3-sulfonamide has a molecular weight of 374.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(3-methylphenyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 53154473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).