3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide

C18H24N2O4S — CID 72939397

IUPAC3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1)c1cccc(S(=O)(=O)NCC2=CCCCC2)c1
InChIInChI=1S/C18H24N2O4S/c21-18(20-16-9-10-24-13-16)15-7-4-8-17(11-15)25(22,23)19-12-14-5-2-1-3-6-14/h4-5,7-8,11,16,19H,1-3,6,9-10,12-13H2,(H,20,21)
InChIKeyYXRMOSQMXOVILG-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.98
Rot. Bonds6

About 3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide

3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide (PubChem CID 72939397) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide
PubChem CID72939397
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1)c1cccc(S(=O)(=O)NCC2=CCCCC2)c1
InChIInChI=1S/C18H24N2O4S/c21-18(20-16-9-10-24-13-16)15-7-4-8-17(11-15)25(22,23)19-12-14-5-2-1-3-6-14/h4-5,7-8,11,16,19H,1-3,6,9-10,12-13H2,(H,20,21)
InChIKeyYXRMOSQMXOVILG-UHFFFAOYSA-N
XLogP1.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 97208205
3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide
CID 97187419
3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide
CID 97187261
N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80712621
3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 97202366
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]benzoic acid
CID 43091539
N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide
CID 97192873
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide
CID 109058268
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
N-cyclopentyl-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
CID 72867764
3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77097621

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide?
The IUPAC name of 3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide (CID 72939397) is 3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide is O=C(NC1CCOC1)c1cccc(S(=O)(=O)NCC2=CCCCC2)c1.
What is the InChIKey of 3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide?
The InChIKey is YXRMOSQMXOVILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c21-18(20-16-9-10-24-13-16)15-7-4-8-17(11-15)25(22,23)19-12-14-5-2-1-3-6-14/h4-5,7-8,11,16,19H,1-3,6,9-10,12-13H2,(H,20,21).
What are the key properties of 3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide?
3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide has a molecular weight of 364.47 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 72939397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).