N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide

C18H22N2O5S — CID 25037815

IUPACN-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
SMILESCOCC(C)NS(=O)(=O)C1=C(N2CCCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H22N2O5S/c1-12(11-25-2)19-26(23,24)18-15(20-9-5-6-10-20)16(21)13-7-3-4-8-14(13)17(18)22/h3-4,7-8,12,19H,5-6,9-11H2,1-2H3
InChIKeyZFINOUVSEDGRKM-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.33
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide

N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide (PubChem CID 25037815) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
PubChem CID25037815
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
SMILESCOCC(C)NS(=O)(=O)C1=C(N2CCCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H22N2O5S/c1-12(11-25-2)19-26(23,24)18-15(20-9-5-6-10-20)16(21)13-7-3-4-8-14(13)17(18)22/h3-4,7-8,12,19H,5-6,9-11H2,1-2H3
InChIKeyZFINOUVSEDGRKM-UHFFFAOYSA-N
XLogP1.33
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
CID 25047016
N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25048727
3-(azepan-1-yl)-N-(2-hydroxypropyl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25047267
N-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25035415
N-(4-methylphenyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25037207
N-cyclopentyl-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25043022
N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide
CID 39977591
1,4-dioxo-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25036232
3-(azepan-1-yl)-N-(3-methylphenyl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25040757
N-[(4-fluorophenyl)methyl]-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25044666
ethyl 4-[[3-(azepan-1-yl)-1,4-dioxonaphthalen-2-yl]sulfonylamino]benzoate
CID 25043111
N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-piperidin-1-ylbenzenesulfonamide
CID 9186041

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide (CID 25037815) is N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide is COCC(C)NS(=O)(=O)C1=C(N2CCCC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide?
The InChIKey is ZFINOUVSEDGRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-12(11-25-2)19-26(23,24)18-15(20-9-5-6-10-20)16(21)13-7-3-4-8-14(13)17(18)22/h3-4,7-8,12,19H,5-6,9-11H2,1-2H3.
What are the key properties of N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide?
N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide has a molecular weight of 378.45 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide is sourced from PubChem (CID 25037815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).