3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C19H26N2O4S — CID 97208205

IUPAC3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccc(S(=O)(=O)NCC2=CCCCC2)c1
InChIInChI=1S/C19H26N2O4S/c22-19(20-14-17-9-5-11-25-17)16-8-4-10-18(12-16)26(23,24)21-13-15-6-2-1-3-7-15/h4,6,8,10,12,17,21H,1-3,5,7,9,11,13-14H2,(H,20,22)/t17-/m0/s1
InChIKeyHCGQUYKMSHJZTJ-KRWDZBQOSA-N
MW378.49 g/mol
LogP2.37
Rot. Bonds7

About 3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 97208205) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID97208205
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccc(S(=O)(=O)NCC2=CCCCC2)c1
InChIInChI=1S/C19H26N2O4S/c22-19(20-14-17-9-5-11-25-17)16-8-4-10-18(12-16)26(23,24)21-13-15-6-2-1-3-7-15/h4,6,8,10,12,17,21H,1-3,5,7,9,11,13-14H2,(H,20,22)/t17-/m0/s1
InChIKeyHCGQUYKMSHJZTJ-KRWDZBQOSA-N
XLogP2.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.37
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-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide
CID 72939397
3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 27518057
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide
CID 109063938
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 75871785
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950
N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 18207149
3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 43002756
3-[(2-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 18108761

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 97208205) is 3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCO1)c1cccc(S(=O)(=O)NCC2=CCCCC2)c1.
What is the InChIKey of 3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is HCGQUYKMSHJZTJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N2O4S/c22-19(20-14-17-9-5-11-25-17)16-8-4-10-18(12-16)26(23,24)21-13-15-6-2-1-3-7-15/h4,6,8,10,12,17,21H,1-3,5,7,9,11,13-14H2,(H,20,22)/t17-/m0/s1.
What are the key properties of 3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 378.49 g/mol, XLogP of 2.37, 7 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-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 97208205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).