N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane

C26H34N4O6S — CID 21162344

IUPACN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane
SMILESCOC.O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNC(=O)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C24H28N4O5S.C2H6O/c29-22-21-9-5-4-6-18(21)16-28(22)24(31)25-15-14-17-10-12-20(13-11-17)34(32,33)27-23(30)26-19-7-2-1-3-8-19;1-3-2/h4-6,9-13,19H,1-3,7-8,14-16H2,(H,25,31)(H2,26,27,30);1-2H3
InChIKeyMXAIBBRNJIQLDM-UHFFFAOYSA-N
MW530.65 g/mol
LogP3.18
Rot. Bonds6

About N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane (PubChem CID 21162344) has the molecular formula C26H34N4O6S and a molecular weight of 530.65 g/mol. Its IUPAC name is N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane.

Molecular Properties

Compound NameN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane
PubChem CID21162344
Molecular FormulaC26H34N4O6S
Molecular Weight530.65 g/mol
Exact Mass530.22
IUPAC NameN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane
SMILESCOC.O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNC(=O)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C24H28N4O5S.C2H6O/c29-22-21-9-5-4-6-18(21)16-28(22)24(31)25-15-14-17-10-12-20(13-11-17)34(32,33)27-23(30)26-19-7-2-1-3-8-19;1-3-2/h4-6,9-13,19H,1-3,7-8,14-16H2,(H,25,31)(H2,26,27,30);1-2H3
InChIKeyMXAIBBRNJIQLDM-UHFFFAOYSA-N
XLogP3.18
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.65
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane with MolForge

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Related Compounds

N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide
CID 56638621
N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide
CID 21162325
N-[2-[4-[cyclohexylcarbamoyl(sulfanyl)sulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide
CID 88772732
N-[2-[4-(carbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide
CID 70578684
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]acetamide
CID 10666666
methyl 4-[[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexane-1-carboxylate
CID 176736344
N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide
CID 56613543
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,3,4,5,6-pentafluorobenzamide
CID 10346554
methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate
CID 59767886
[4-[[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl]methyl N-cyclopropylcarbamate
CID 176736331
3-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-1-methyl-1-pyridin-2-ylurea
CID 21433328
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide
CID 44567440

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane?
The IUPAC name of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane (CID 21162344) is N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane.
What is the SMILES notation for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane?
The canonical SMILES for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane is COC.O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNC(=O)N2Cc3ccccc3C2=O)cc1.
What is the InChIKey of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane?
The InChIKey is MXAIBBRNJIQLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S.C2H6O/c29-22-21-9-5-4-6-18(21)16-28(22)24(31)25-15-14-17-10-12-20(13-11-17)34(32,33)27-23(30)26-19-7-2-1-3-8-19;1-3-2/h4-6,9-13,19H,1-3,7-8,14-16H2,(H,25,31)(H2,26,27,30);1-2H3.
What are the key properties of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane?
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane has a molecular weight of 530.65 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane is sourced from PubChem (CID 21162344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).