4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-sulfonamide

C20H24N4O4S — CID 53155169

IUPAC4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-sulfonamide
SMILESCCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1C
InChIInChI=1S/C20H24N4O4S/c1-5-24-12(2)17(20-21-19(22-28-20)14-6-7-14)18(13(24)3)29(25,26)23-15-8-10-16(27-4)11-9-15/h8-11,14,23H,5-7H2,1-4H3
InChIKeyTTXYLTNFVKOXMN-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.86
Rot. Bonds7

About 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-sulfonamide

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-sulfonamide (PubChem CID 53155169) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-sulfonamide
PubChem CID53155169
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-sulfonamide
SMILESCCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1C
InChIInChI=1S/C20H24N4O4S/c1-5-24-12(2)17(20-21-19(22-28-20)14-6-7-14)18(13(24)3)29(25,26)23-15-8-10-16(27-4)11-9-15/h8-11,14,23H,5-7H2,1-4H3
InChIKeyTTXYLTNFVKOXMN-UHFFFAOYSA-N
XLogP3.86
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-sulfonamide?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-sulfonamide (CID 53155169) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-sulfonamide is CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1C.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-sulfonamide?
The InChIKey is TTXYLTNFVKOXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-5-24-12(2)17(20-21-19(22-28-20)14-6-7-14)18(13(24)3)29(25,26)23-15-8-10-16(27-4)11-9-15/h8-11,14,23H,5-7H2,1-4H3.
What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-sulfonamide?
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-sulfonamide has a molecular weight of 416.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53155169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).