N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide

C19H19N3O4S — CID 10385400

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(N4CCCC4=O)cccc23)c1C
InChIInChI=1S/C19H19N3O4S/c1-12-13(2)20-26-19(12)21-27(24,25)17-9-4-6-14-15(17)7-3-8-16(14)22-11-5-10-18(22)23/h3-4,6-9,21H,5,10-11H2,1-2H3
InChIKeyCADOLIAMGUQADS-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.37
Rot. Bonds4

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide (PubChem CID 10385400) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide
PubChem CID10385400
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(N4CCCC4=O)cccc23)c1C
InChIInChI=1S/C19H19N3O4S/c1-12-13(2)20-26-19(12)21-27(24,25)17-9-4-6-14-15(17)7-3-8-16(14)22-11-5-10-18(22)23/h3-4,6-9,21H,5,10-11H2,1-2H3
InChIKeyCADOLIAMGUQADS-UHFFFAOYSA-N
XLogP3.37
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide (CID 10385400) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide is Cc1noc(NS(=O)(=O)c2cccc3c(N4CCCC4=O)cccc23)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide?
The InChIKey is CADOLIAMGUQADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-13(2)20-26-19(12)21-27(24,25)17-9-4-6-14-15(17)7-3-8-16(14)22-11-5-10-18(22)23/h3-4,6-9,21H,5,10-11H2,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide has a molecular weight of 385.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 10385400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).