2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide

C26H31N3O5S — CID 46662252

IUPAC2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1
InChIInChI=1S/C26H31N3O5S/c1-3-28(4-2)35(33,34)21-13-10-18(11-14-21)17-27-24(30)19-12-15-22-23(16-19)26(32)29(25(22)31)20-8-6-5-7-9-20/h10-16,20H,3-9,17H2,1-2H3,(H,27,30)
InChIKeyDILJTYNCLWZMGS-UHFFFAOYSA-N
MW497.62 g/mol
LogP3.58
Rot. Bonds8

About 2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide

2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 46662252) has the molecular formula C26H31N3O5S and a molecular weight of 497.62 g/mol. Its IUPAC name is 2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID46662252
Molecular FormulaC26H31N3O5S
Molecular Weight497.62 g/mol
Exact Mass497.20
IUPAC Name2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1
InChIInChI=1S/C26H31N3O5S/c1-3-28(4-2)35(33,34)21-13-10-18(11-14-21)17-27-24(30)19-12-15-22-23(16-19)26(32)29(25(22)31)20-8-6-5-7-9-20/h10-16,20H,3-9,17H2,1-2H3,(H,27,30)
InChIKeyDILJTYNCLWZMGS-UHFFFAOYSA-N
XLogP3.58
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304
N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119627052
2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 86820762
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide
CID 90490247
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid
CID 119206160
N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 119997286
2-cyclohexyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108572001
2-cyclohexyl-1,3-dioxo-N-[3-oxo-3-(propan-2-ylamino)propyl]isoindole-5-carboxamide
CID 55599710
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
2-cyclohexyl-1,3-dioxo-N-(pyrrolidin-2-ylmethyl)isoindole-5-carboxamide
CID 119511117

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide (CID 46662252) is 2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1.
What is the InChIKey of 2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is DILJTYNCLWZMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5S/c1-3-28(4-2)35(33,34)21-13-10-18(11-14-21)17-27-24(30)19-12-15-22-23(16-19)26(32)29(25(22)31)20-8-6-5-7-9-20/h10-16,20H,3-9,17H2,1-2H3,(H,27,30).
What are the key properties of 2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide?
2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 46662252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).