N-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide

C19H28N2O4S — CID 55724110

IUPACN-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCCOC2CCCCC2C)cc1
InChIInChI=1S/C19H28N2O4S/c1-3-12-21-26(23,24)17-10-8-16(9-11-17)19(22)20-13-14-25-18-7-5-4-6-15(18)2/h3,8-11,15,18,21H,1,4-7,12-14H2,2H3,(H,20,22)
InChIKeyQGGFWIRDSOEFKF-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.48
Rot. Bonds9

About N-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide

N-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 55724110) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID55724110
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCCOC2CCCCC2C)cc1
InChIInChI=1S/C19H28N2O4S/c1-3-12-21-26(23,24)17-10-8-16(9-11-17)19(22)20-13-14-25-18-7-5-4-6-15(18)2/h3,8-11,15,18,21H,1,4-7,12-14H2,2H3,(H,20,22)
InChIKeyQGGFWIRDSOEFKF-UHFFFAOYSA-N
XLogP2.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylcyclohexyl)oxyethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55724201
N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27859389
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 9453861
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
CID 55939568
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide
CID 95593788
N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55717357
3,4-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(methylsulfamoyl)benzamide
CID 55717475
N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 31098524
N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 78856246
3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide
CID 51726082
6-(dimethylamino)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyridine-3-carboxamide
CID 94131649
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 19258102

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide (CID 55724110) is N-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NCCOC2CCCCC2C)cc1.
What is the InChIKey of N-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is QGGFWIRDSOEFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-3-12-21-26(23,24)17-10-8-16(9-11-17)19(22)20-13-14-25-18-7-5-4-6-15(18)2/h3,8-11,15,18,21H,1,4-7,12-14H2,2H3,(H,20,22).
What are the key properties of N-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide?
N-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 380.51 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 55724110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).