[2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate

C27H34N2O5S — CID 18883681

IUPAC[2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C27H34N2O5S/c1-20(30)34-26-15-9-8-14-25(26)27(31)28-21-16-18-24(19-17-21)35(32,33)29(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h8-9,14-19,22-23H,2-7,10-13H2,1H3,(H,28,31)
InChIKeyIJLUKXKREDIHEA-UHFFFAOYSA-N
MW498.65 g/mol
LogP5.52
Rot. Bonds7

About [2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate

[2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate (PubChem CID 18883681) has the molecular formula C27H34N2O5S and a molecular weight of 498.65 g/mol. Its IUPAC name is [2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
PubChem CID18883681
Molecular FormulaC27H34N2O5S
Molecular Weight498.65 g/mol
Exact Mass498.22
IUPAC Name[2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C27H34N2O5S/c1-20(30)34-26-15-9-8-14-25(26)27(31)28-21-16-18-24(19-17-21)35(32,33)29(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h8-9,14-19,22-23H,2-7,10-13H2,1H3,(H,28,31)
InChIKeyIJLUKXKREDIHEA-UHFFFAOYSA-N
XLogP5.52
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.65
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1292592
[2-[(4-iodophenyl)carbamoyl]phenyl] acetate
CID 3361929
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dimethylbenzamide
CID 52894118
2,3-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
CID 26906917
3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide
CID 18848670
N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954653
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-[4-(acetylsulfamoyl)phenyl]-2-methoxybenzamide
CID 803307
2-methoxy-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226771
5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357269
2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide
CID 31288662
2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide
CID 16563331

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate (CID 18883681) is [2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of [2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate?
The InChIKey is IJLUKXKREDIHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O5S/c1-20(30)34-26-15-9-8-14-25(26)27(31)28-21-16-18-24(19-17-21)35(32,33)29(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h8-9,14-19,22-23H,2-7,10-13H2,1H3,(H,28,31).
What are the key properties of [2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate?
[2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate has a molecular weight of 498.65 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(dicyclohexylsulfamoyl)phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 18883681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).