N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide

C17H24N2O3S — CID 31481407

IUPACN-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C17H24N2O3S/c1-14(20)18-13-16-7-9-17(10-8-16)23(21,22)19-12-11-15-5-3-2-4-6-15/h5,7-10,19H,2-4,6,11-13H2,1H3,(H,18,20)
InChIKeyMGFBLCFEMWZBDW-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.49
Rot. Bonds7

About N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide

N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide (PubChem CID 31481407) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide
PubChem CID31481407
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C17H24N2O3S/c1-14(20)18-13-16-7-9-17(10-8-16)23(21,22)19-12-11-15-5-3-2-4-6-15/h5,7-10,19H,2-4,6,11-13H2,1H3,(H,18,20)
InChIKeyMGFBLCFEMWZBDW-UHFFFAOYSA-N
XLogP2.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide
CID 84556978
4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 109059643
2-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 126139073
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide
CID 109058268
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 38105049
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109059659
2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112991103
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-phenylbenzamide
CID 109059673
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]benzoic acid
CID 43091539
N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide
CID 17473598
N-[2-(cyclohexen-1-yl)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 110759188
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7828113

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide (CID 31481407) is N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide?
The InChIKey is MGFBLCFEMWZBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-14(20)18-13-16-7-9-17(10-8-16)23(21,22)19-12-11-15-5-3-2-4-6-15/h5,7-10,19H,2-4,6,11-13H2,1H3,(H,18,20).
What are the key properties of N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide?
N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide has a molecular weight of 336.46 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 31481407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).