N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide

C23H28N2O3S — CID 1250561

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)ccc1C
InChIInChI=1S/C23H28N2O3S/c1-17-8-6-7-11-21(17)25-29(27,28)22-16-20(13-12-18(22)2)23(26)24-15-14-19-9-4-3-5-10-19/h6-9,11-13,16,25H,3-5,10,14-15H2,1-2H3,(H,24,26)
InChIKeyJOVNBBKYUGYGPP-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.72
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide

N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 1250561) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID1250561
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)ccc1C
InChIInChI=1S/C23H28N2O3S/c1-17-8-6-7-11-21(17)25-29(27,28)22-16-20(13-12-18(22)2)23(26)24-15-14-19-9-4-3-5-10-19/h6-9,11-13,16,25H,3-5,10,14-15H2,1-2H3,(H,24,26)
InChIKeyJOVNBBKYUGYGPP-UHFFFAOYSA-N
XLogP4.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide (CID 1250561) is N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)ccc1C.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is JOVNBBKYUGYGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-17-8-6-7-11-21(17)25-29(27,28)22-16-20(13-12-18(22)2)23(26)24-15-14-19-9-4-3-5-10-19/h6-9,11-13,16,25H,3-5,10,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 412.56 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 1250561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).