3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane

C36H50N6O9S3 — CID 157183746

IUPAC3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane
SMILESC.CCC1C(=O)Nc2ccc(S(=O)(=O)NC)cc21.CCC1Cc2cc(S(=O)(=O)NC)ccc2NC1=O.CCC1Cc2cc(S(=O)(=O)NC)ccc2NC1=O
InChIInChI=1S/2C12H16N2O3S.C11H14N2O3S.CH4/c2*1-3-8-6-9-7-10(18(16,17)13-2)4-5-11(9)14-12(8)15;1-3-8-9-6-7(17(15,16)12-2)4-5-10(9)13-11(8)14;/h2*4-5,7-8,13H,3,6H2,1-2H3,(H,14,15);4-6,8,12H,3H2,1-2H3,(H,13,14);1H4
InChIKeyAOWGADACUXHIBA-UHFFFAOYSA-N
MW807.03 g/mol
LogP3.91
Rot. Bonds9

About 3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane

3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane (PubChem CID 157183746) has the molecular formula C36H50N6O9S3 and a molecular weight of 807.03 g/mol. Its IUPAC name is 3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane.

Molecular Properties

Compound Name3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane
PubChem CID157183746
Molecular FormulaC36H50N6O9S3
Molecular Weight807.03 g/mol
Exact Mass806.28
IUPAC Name3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane
SMILESC.CCC1C(=O)Nc2ccc(S(=O)(=O)NC)cc21.CCC1Cc2cc(S(=O)(=O)NC)ccc2NC1=O.CCC1Cc2cc(S(=O)(=O)NC)ccc2NC1=O
InChIInChI=1S/2C12H16N2O3S.C11H14N2O3S.CH4/c2*1-3-8-6-9-7-10(18(16,17)13-2)4-5-11(9)14-12(8)15;1-3-8-9-6-7(17(15,16)12-2)4-5-10(9)13-11(8)14;/h2*4-5,7-8,13H,3,6H2,1-2H3,(H,14,15);4-6,8,12H,3H2,1-2H3,(H,13,14);1H4
InChIKeyAOWGADACUXHIBA-UHFFFAOYSA-N
XLogP3.91
TPSA225.81 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.03
LogP ≤ 53.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 70087119
3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 82112600
(3aR)-N-methyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide
CID 7826137
3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione
CID 70456027
N-(2-amino-1-cyclopropylethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 65189183
3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 82172223
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355229
(2R)-2-amino-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 95804126
7-ethyl-2-sulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 88522570
N-methyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]acetamide
CID 9189795
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
N,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 68654542

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane?
The IUPAC name of 3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane (CID 157183746) is 3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane.
What is the SMILES notation for 3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane?
The canonical SMILES for 3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane is C.CCC1C(=O)Nc2ccc(S(=O)(=O)NC)cc21.CCC1Cc2cc(S(=O)(=O)NC)ccc2NC1=O.CCC1Cc2cc(S(=O)(=O)NC)ccc2NC1=O.
What is the InChIKey of 3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane?
The InChIKey is AOWGADACUXHIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H16N2O3S.C11H14N2O3S.CH4/c2*1-3-8-6-9-7-10(18(16,17)13-2)4-5-11(9)14-12(8)15;1-3-8-9-6-7(17(15,16)12-2)4-5-10(9)13-11(8)14;/h2*4-5,7-8,13H,3,6H2,1-2H3,(H,14,15);4-6,8,12H,3H2,1-2H3,(H,13,14);1H4.
What are the key properties of 3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane?
3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane has a molecular weight of 807.03 g/mol, XLogP of 3.91, 9 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane is sourced from PubChem (CID 157183746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).