N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide

C20H24N2O4S — CID 109063927

IUPACN-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)NCC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-15(16-7-3-2-4-8-16)22-27(24,25)19-11-5-9-17(13-19)20(23)21-14-18-10-6-12-26-18/h2-5,7-9,11,13,15,18,22H,6,10,12,14H2,1H3,(H,21,23)
InChIKeyCMKYWXGDEZQEPG-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.63
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide

N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide (PubChem CID 109063927) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide
PubChem CID109063927
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)NCC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-15(16-7-3-2-4-8-16)22-27(24,25)19-11-5-9-17(13-19)20(23)21-14-18-10-6-12-26-18/h2-5,7-9,11,13,15,18,22H,6,10,12,14H2,1H3,(H,21,23)
InChIKeyCMKYWXGDEZQEPG-UHFFFAOYSA-N
XLogP2.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
N-(oxolan-2-ylmethyl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 43040270
3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331189
3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 27518057
3-[(2-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 18108761
N-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007008
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063959
N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide
CID 109063938
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54836830

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide (CID 109063927) is N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide is CC(NS(=O)(=O)c1cccc(C(=O)NCC2CCCO2)c1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide?
The InChIKey is CMKYWXGDEZQEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15(16-7-3-2-4-8-16)22-27(24,25)19-11-5-9-17(13-19)20(23)21-14-18-10-6-12-26-18/h2-5,7-9,11,13,15,18,22H,6,10,12,14H2,1H3,(H,21,23).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide?
N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide is sourced from PubChem (CID 109063927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).