4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-methoxy-2-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide

C19H24N4O4S — CID 53155151

IUPAC4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-methoxy-2-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
SMILESCCc1noc(-c2c(S(=O)(=O)Nc3ccc(OC)cc3C)c(C)n(C)c2C)n1
InChIInChI=1S/C19H24N4O4S/c1-7-16-20-19(27-21-16)17-12(3)23(5)13(4)18(17)28(24,25)22-15-9-8-14(26-6)10-11(15)2/h8-10,22H,7H2,1-6H3
InChIKeyVVRXZRAGNVVDQG-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.37
Rot. Bonds6

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

4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-methoxy-2-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide (PubChem CID 53155151) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-methoxy-2-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-methoxy-2-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
PubChem CID53155151
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-methoxy-2-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
SMILESCCc1noc(-c2c(S(=O)(=O)Nc3ccc(OC)cc3C)c(C)n(C)c2C)n1
InChIInChI=1S/C19H24N4O4S/c1-7-16-20-19(27-21-16)17-12(3)23(5)13(4)18(17)28(24,25)22-15-9-8-14(26-6)10-11(15)2/h8-10,22H,7H2,1-6H3
InChIKeyVVRXZRAGNVVDQG-UHFFFAOYSA-N
XLogP3.37
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-methoxy-2-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide?
The IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-methoxy-2-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide (CID 53155151) is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-methoxy-2-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-methoxy-2-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide?
The canonical SMILES for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-methoxy-2-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide is CCc1noc(-c2c(S(=O)(=O)Nc3ccc(OC)cc3C)c(C)n(C)c2C)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-methoxy-2-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide?
The InChIKey is VVRXZRAGNVVDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-7-16-20-19(27-21-16)17-12(3)23(5)13(4)18(17)28(24,25)22-15-9-8-14(26-6)10-11(15)2/h8-10,22H,7H2,1-6H3.
What are the key properties of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-methoxy-2-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide?
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-methoxy-2-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide has a molecular weight of 404.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-methoxy-2-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53155151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).