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

C23H25N3O5S — CID 55333038

IUPACN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)cc2C1=O
InChIInChI=1S/C23H25N3O5S/c1-25-22(28)19-13-8-15(14-20(19)23(25)29)21(27)24-16-9-11-18(12-10-16)32(30,31)26(2)17-6-4-3-5-7-17/h8-14,17H,3-7H2,1-2H3,(H,24,27)
InChIKeyXQIYCOGVFPVWDP-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.12
Rot. Bonds5

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

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55333038) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID55333038
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)cc2C1=O
InChIInChI=1S/C23H25N3O5S/c1-25-22(28)19-13-8-15(14-20(19)23(25)29)21(27)24-16-9-11-18(12-10-16)32(30,31)26(2)17-6-4-3-5-7-17/h8-14,17H,3-7H2,1-2H3,(H,24,27)
InChIKeyXQIYCOGVFPVWDP-UHFFFAOYSA-N
XLogP3.12
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.12
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

4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 41363949
4-[cyclohexyl(ethyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 41149330
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide
CID 26289690
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methoxymethyl)benzamide
CID 46806930
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26906898
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 31508567
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126
3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 17342762
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide
CID 43057657

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 55333038) is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)cc2C1=O.
What is the InChIKey of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is XQIYCOGVFPVWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-25-22(28)19-13-8-15(14-20(19)23(25)29)21(27)24-16-9-11-18(12-10-16)32(30,31)26(2)17-6-4-3-5-7-17/h8-14,17H,3-7H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55333038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).