N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide

C24H28N4O5S — CID 56638621

IUPACN-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide
SMILESCC1CCC(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)N3Cc4ccccc4C3=O)cc2)C1
InChIInChI=1S/C24H28N4O5S/c1-16-6-9-19(14-16)26-23(30)27-34(32,33)20-10-7-17(8-11-20)12-13-25-24(31)28-15-18-4-2-3-5-21(18)22(28)29/h2-5,7-8,10-11,16,19H,6,9,12-15H2,1H3,(H,25,31)(H2,26,27,30)
InChIKeyJMNNKNGJAPZOKW-UHFFFAOYSA-N
MW484.58 g/mol
LogP2.77
Rot. Bonds6

About N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide

N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide (PubChem CID 56638621) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide
PubChem CID56638621
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC NameN-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide
SMILESCC1CCC(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)N3Cc4ccccc4C3=O)cc2)C1
InChIInChI=1S/C24H28N4O5S/c1-16-6-9-19(14-16)26-23(30)27-34(32,33)20-10-7-17(8-11-20)12-13-25-24(31)28-15-18-4-2-3-5-21(18)22(28)29/h2-5,7-8,10-11,16,19H,6,9,12-15H2,1H3,(H,25,31)(H2,26,27,30)
InChIKeyJMNNKNGJAPZOKW-UHFFFAOYSA-N
XLogP2.77
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane
CID 21162344
N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-6-oxo-4H-thieno[2,3-c]pyrrole-5-carboxamide
CID 56613543
N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide
CID 21162325
N-[2-[4-(carbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide
CID 70578684
N-[2-[4-[cyclohexylcarbamoyl(sulfanyl)sulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide
CID 88772732
methyl 4-[[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexane-1-carboxylate
CID 176736344
[4-[[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl]methyl N-cyclopropylcarbamate
CID 176736331
N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide
CID 176736322
4-ethyl-3-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide;4-methylcyclohexan-1-amine;methyl N-[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamate;triiodovanadium;hydroiodide
CID 161482197
N-[2-[4-(cyclohexylsulfanylcarbamoylsulfamoyl)phenyl]ethyl]-4-methyl-2-oxopiperidine-1-carboxamide
CID 20504604
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]acetamide
CID 10666666
N-[4-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethylsulfamoyl]phenyl]acetamide
CID 44565017

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide?
The IUPAC name of N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide (CID 56638621) is N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide?
The canonical SMILES for N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide is CC1CCC(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)N3Cc4ccccc4C3=O)cc2)C1.
What is the InChIKey of N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide?
The InChIKey is JMNNKNGJAPZOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-16-6-9-19(14-16)26-23(30)27-34(32,33)20-10-7-17(8-11-20)12-13-25-24(31)28-15-18-4-2-3-5-21(18)22(28)29/h2-5,7-8,10-11,16,19H,6,9,12-15H2,1H3,(H,25,31)(H2,26,27,30).
What are the key properties of N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide?
N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide is sourced from PubChem (CID 56638621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).