N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)naphthalene-2-sulfonamide

C18H22N2O3S — CID 934546

IUPACN-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)naphthalene-2-sulfonamide
SMILESCCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O3S/c1-2-20(14-18(21)19-11-5-6-12-19)24(22,23)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3
InChIKeyNCXMEOCSRQHYKM-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.47
Rot. Bonds5

About N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)naphthalene-2-sulfonamide

N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)naphthalene-2-sulfonamide (PubChem CID 934546) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)naphthalene-2-sulfonamide
PubChem CID934546
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)naphthalene-2-sulfonamide
SMILESCCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O3S/c1-2-20(14-18(21)19-11-5-6-12-19)24(22,23)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3
InChIKeyNCXMEOCSRQHYKM-UHFFFAOYSA-N
XLogP2.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)naphthalene-2-sulfonamide (CID 934546) is N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)naphthalene-2-sulfonamide is CCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)naphthalene-2-sulfonamide?
The InChIKey is NCXMEOCSRQHYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-20(14-18(21)19-11-5-6-12-19)24(22,23)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3.
What are the key properties of N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)naphthalene-2-sulfonamide?
N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)naphthalene-2-sulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 934546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).