N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide

C17H25N3O4S — CID 108571113

IUPACN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-13(21)20-15-7-9-16(10-8-15)25(23,24)19-12-11-18-17(22)14-5-3-2-4-6-14/h7-10,14,19H,2-6,11-12H2,1H3,(H,18,22)(H,20,21)
InChIKeyFOBSLIQABKXEFW-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.62
Rot. Bonds7

About N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide

N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide (PubChem CID 108571113) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
PubChem CID108571113
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-13(21)20-15-7-9-16(10-8-15)25(23,24)19-12-11-18-17(22)14-5-3-2-4-6-14/h7-10,14,19H,2-6,11-12H2,1H3,(H,18,22)(H,20,21)
InChIKeyFOBSLIQABKXEFW-UHFFFAOYSA-N
XLogP1.62
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571108
N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride
CID 119987153
N-[4-[2-[acetyl(cyclopentyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113052884
4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672481
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145197
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574942
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145158
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 20968693
N-[4-(benzylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 2987452
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574823
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide
CID 134039501

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide (CID 108571113) is N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide is CC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide?
The InChIKey is FOBSLIQABKXEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-13(21)20-15-7-9-16(10-8-15)25(23,24)19-12-11-18-17(22)14-5-3-2-4-6-14/h7-10,14,19H,2-6,11-12H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide?
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 108571113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).