[4-methyl-3-[[2-(methylsulfamoylamino)phenyl]sulfonylamino]-2-oxochromen-7-yl] N,N-dimethylcarbamate

C20H22N4O8S2 — CID 59139284

IUPAC[4-methyl-3-[[2-(methylsulfamoylamino)phenyl]sulfonylamino]-2-oxochromen-7-yl] N,N-dimethylcarbamate
SMILESCNS(=O)(=O)Nc1ccccc1S(=O)(=O)Nc1c(C)c2ccc(OC(=O)N(C)C)cc2oc1=O
InChIInChI=1S/C20H22N4O8S2/c1-12-14-10-9-13(31-20(26)24(3)4)11-16(14)32-19(25)18(12)23-33(27,28)17-8-6-5-7-15(17)22-34(29,30)21-2/h5-11,21-23H,1-4H3
InChIKeyKFKUEVXSSFFOMZ-UHFFFAOYSA-N
MW510.55 g/mol
LogP1.84
Rot. Bonds7

About [4-methyl-3-[[2-(methylsulfamoylamino)phenyl]sulfonylamino]-2-oxochromen-7-yl] N,N-dimethylcarbamate

[4-methyl-3-[[2-(methylsulfamoylamino)phenyl]sulfonylamino]-2-oxochromen-7-yl] N,N-dimethylcarbamate (PubChem CID 59139284) has the molecular formula C20H22N4O8S2 and a molecular weight of 510.55 g/mol. Its IUPAC name is [4-methyl-3-[[2-(methylsulfamoylamino)phenyl]sulfonylamino]-2-oxochromen-7-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-methyl-3-[[2-(methylsulfamoylamino)phenyl]sulfonylamino]-2-oxochromen-7-yl] N,N-dimethylcarbamate
PubChem CID59139284
Molecular FormulaC20H22N4O8S2
Molecular Weight510.55 g/mol
Exact Mass510.09
IUPAC Name[4-methyl-3-[[2-(methylsulfamoylamino)phenyl]sulfonylamino]-2-oxochromen-7-yl] N,N-dimethylcarbamate
SMILESCNS(=O)(=O)Nc1ccccc1S(=O)(=O)Nc1c(C)c2ccc(OC(=O)N(C)C)cc2oc1=O
InChIInChI=1S/C20H22N4O8S2/c1-12-14-10-9-13(31-20(26)24(3)4)11-16(14)32-19(25)18(12)23-33(27,28)17-8-6-5-7-15(17)22-34(29,30)21-2/h5-11,21-23H,1-4H3
InChIKeyKFKUEVXSSFFOMZ-UHFFFAOYSA-N
XLogP1.84
TPSA164.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

[3-[[3-amino-6-(methylsulfamoyl)-2-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 25206584
[3-[[3-[[2-(dimethylamino)-2-oxoethyl]sulfonylamino]phenyl]methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 59139111
[3-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl] N-methylcarbamate
CID 89233752
[3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 4966268
[4-methyl-3-[[3-(methylsulfamoylamino)phenyl]methyl]-2-oxochromen-7-yl] N-(2-amino-2-oxoethyl)-N-methylcarbamate
CID 59139410
N-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-2-nitrobenzenesulfonamide
CID 59139249
[4-[[3-(cyanomethyl)azetidin-1-yl]methyl]-3-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate;molecular hydrogen
CID 169116515
4-methyl-3-[3-(methylsulfamoylamino)anilino]-7-pyrimidin-2-yloxychromen-2-one
CID 59139472
[3-[(6-amino-2-pyridinyl)methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 59139378
[3-[[2-(ethylsulfonylamino)-3-fluoro-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 165147885
[4-[(dimethylamino)methyl]-3-[[2-fluoro-3-(methylsulfamoylmethyl)phenyl]methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 168982876
[3-[[3-(ethylsulfonylamino)-2-fluorophenyl]methyl]-4-[[2-fluoroethyl(methyl)amino]methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 168982905

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-[[2-(methylsulfamoylamino)phenyl]sulfonylamino]-2-oxochromen-7-yl] N,N-dimethylcarbamate?
The IUPAC name of [4-methyl-3-[[2-(methylsulfamoylamino)phenyl]sulfonylamino]-2-oxochromen-7-yl] N,N-dimethylcarbamate (CID 59139284) is [4-methyl-3-[[2-(methylsulfamoylamino)phenyl]sulfonylamino]-2-oxochromen-7-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-methyl-3-[[2-(methylsulfamoylamino)phenyl]sulfonylamino]-2-oxochromen-7-yl] N,N-dimethylcarbamate?
The canonical SMILES for [4-methyl-3-[[2-(methylsulfamoylamino)phenyl]sulfonylamino]-2-oxochromen-7-yl] N,N-dimethylcarbamate is CNS(=O)(=O)Nc1ccccc1S(=O)(=O)Nc1c(C)c2ccc(OC(=O)N(C)C)cc2oc1=O.
What is the InChIKey of [4-methyl-3-[[2-(methylsulfamoylamino)phenyl]sulfonylamino]-2-oxochromen-7-yl] N,N-dimethylcarbamate?
The InChIKey is KFKUEVXSSFFOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O8S2/c1-12-14-10-9-13(31-20(26)24(3)4)11-16(14)32-19(25)18(12)23-33(27,28)17-8-6-5-7-15(17)22-34(29,30)21-2/h5-11,21-23H,1-4H3.
What are the key properties of [4-methyl-3-[[2-(methylsulfamoylamino)phenyl]sulfonylamino]-2-oxochromen-7-yl] N,N-dimethylcarbamate?
[4-methyl-3-[[2-(methylsulfamoylamino)phenyl]sulfonylamino]-2-oxochromen-7-yl] N,N-dimethylcarbamate has a molecular weight of 510.55 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-[[2-(methylsulfamoylamino)phenyl]sulfonylamino]-2-oxochromen-7-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 59139284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).