N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide

C24H31N3O5S — CID 55854015

IUPACN-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCNC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C24H31N3O5S/c1-2-32-21-12-10-20(11-13-21)27-33(30,31)22-14-8-19(9-15-22)24(29)26-17-16-25-23(28)18-6-4-3-5-7-18/h8-15,18,27H,2-7,16-17H2,1H3,(H,25,28)(H,26,29)
InChIKeyBERJQZDJSHAMBX-UHFFFAOYSA-N
MW473.60 g/mol
LogP3.31
Rot. Bonds10

About N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide

N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide (PubChem CID 55854015) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
PubChem CID55854015
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC NameN-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCNC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C24H31N3O5S/c1-2-32-21-12-10-20(11-13-21)27-33(30,31)22-14-8-19(9-15-22)24(29)26-17-16-25-23(28)18-6-4-3-5-7-18/h8-15,18,27H,2-7,16-17H2,1H3,(H,25,28)(H,26,29)
InChIKeyBERJQZDJSHAMBX-UHFFFAOYSA-N
XLogP3.31
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4853767
4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide
CID 9271299
methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109760
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145158
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
4-[(4-ethoxyphenyl)sulfonylamino]-N-[3-oxo-3-(prop-2-ynylamino)propyl]benzamide
CID 55362498
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9164416
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164413
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 75434591
N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide
CID 55805923
4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 43002871

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide (CID 55854015) is N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCNC(=O)C3CCCCC3)cc2)cc1.
What is the InChIKey of N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The InChIKey is BERJQZDJSHAMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-2-32-21-12-10-20(11-13-21)27-33(30,31)22-14-8-19(9-15-22)24(29)26-17-16-25-23(28)18-6-4-3-5-7-18/h8-15,18,27H,2-7,16-17H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide?
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide has a molecular weight of 473.60 g/mol, XLogP of 3.31, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55854015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).