5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-phenylpyrrole-3-sulfonamide

C19H22N4O3S — CID 53154516

IUPAC5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-phenylpyrrole-3-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccccc2)c(C)n(C)c1-c1nnc(C2CCC2)o1
InChIInChI=1S/C19H22N4O3S/c1-12-16(19-21-20-18(26-19)14-8-7-9-14)23(3)13(2)17(12)27(24,25)22-15-10-5-4-6-11-15/h4-6,10-11,14,22H,7-9H2,1-3H3
InChIKeyZUKBDGKONHCEQX-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.76
Rot. Bonds5

About 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-phenylpyrrole-3-sulfonamide

5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-phenylpyrrole-3-sulfonamide (PubChem CID 53154516) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-phenylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-phenylpyrrole-3-sulfonamide
PubChem CID53154516
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-phenylpyrrole-3-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccccc2)c(C)n(C)c1-c1nnc(C2CCC2)o1
InChIInChI=1S/C19H22N4O3S/c1-12-16(19-21-20-18(26-19)14-8-7-9-14)23(3)13(2)17(12)27(24,25)22-15-10-5-4-6-11-15/h4-6,10-11,14,22H,7-9H2,1-3H3
InChIKeyZUKBDGKONHCEQX-UHFFFAOYSA-N
XLogP3.76
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.76
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)-1,2,4-trimethyl-N-phenylpyrrole-3-sulfonamide?
The IUPAC name of 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-phenylpyrrole-3-sulfonamide (CID 53154516) is 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-phenylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-phenylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-phenylpyrrole-3-sulfonamide is Cc1c(S(=O)(=O)Nc2ccccc2)c(C)n(C)c1-c1nnc(C2CCC2)o1.
What is the InChIKey of 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-phenylpyrrole-3-sulfonamide?
The InChIKey is ZUKBDGKONHCEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12-16(19-21-20-18(26-19)14-8-7-9-14)23(3)13(2)17(12)27(24,25)22-15-10-5-4-6-11-15/h4-6,10-11,14,22H,7-9H2,1-3H3.
What are the key properties of 5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-phenylpyrrole-3-sulfonamide?
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-phenylpyrrole-3-sulfonamide has a molecular weight of 386.48 g/mol, XLogP of 3.76, 5 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)-1,2,4-trimethyl-N-phenylpyrrole-3-sulfonamide is sourced from PubChem (CID 53154516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).