N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide

C18H22N2O6S — CID 25047016

IUPACN-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
SMILESCOCC(C)NS(=O)(=O)C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H22N2O6S/c1-12(11-25-2)19-27(23,24)18-15(20-7-9-26-10-8-20)16(21)13-5-3-4-6-14(13)17(18)22/h3-6,12,19H,7-11H2,1-2H3
InChIKeyNBMMFAWJCLMQBS-UHFFFAOYSA-N
MW394.45 g/mol
LogP0.56
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide

N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide (PubChem CID 25047016) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
PubChem CID25047016
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC NameN-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
SMILESCOCC(C)NS(=O)(=O)C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H22N2O6S/c1-12(11-25-2)19-27(23,24)18-15(20-7-9-26-10-8-20)16(21)13-5-3-4-6-14(13)17(18)22/h3-6,12,19H,7-11H2,1-2H3
InChIKeyNBMMFAWJCLMQBS-UHFFFAOYSA-N
XLogP0.56
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25037815
N-butan-2-yl-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25048727
2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione
CID 781111
N-(4-bromophenyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
CID 25047036
2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione
CID 14692055
3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 25048263
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
CID 25042699
N,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
CID 23852518
N-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
CID 25035907
N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide
CID 39977591
2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
CID 11632476
2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione
CID 18871136

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide (CID 25047016) is N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide is COCC(C)NS(=O)(=O)C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide?
The InChIKey is NBMMFAWJCLMQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-12(11-25-2)19-27(23,24)18-15(20-7-9-26-10-8-20)16(21)13-5-3-4-6-14(13)17(18)22/h3-6,12,19H,7-11H2,1-2H3.
What are the key properties of N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide?
N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide has a molecular weight of 394.45 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide is sourced from PubChem (CID 25047016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).