3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C16H24N2O4S — CID 27518057

IUPAC3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCCCCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C16H24N2O4S/c1-2-3-9-18-23(20,21)15-8-4-6-13(11-15)16(19)17-12-14-7-5-10-22-14/h4,6,8,11,14,18H,2-3,5,7,9-10,12H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeySEGSSUHCAZMOEK-CQSZACIVSA-N
MW340.44 g/mol
LogP1.67
Rot. Bonds8

About 3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 27518057) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID27518057
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCCCCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C16H24N2O4S/c1-2-3-9-18-23(20,21)15-8-4-6-13(11-15)16(19)17-12-14-7-5-10-22-14/h4,6,8,11,14,18H,2-3,5,7,9-10,12H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeySEGSSUHCAZMOEK-CQSZACIVSA-N
XLogP1.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide
CID 109063938
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 43020050
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 97208205
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063959
N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109063927
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
3-[(2-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 18108761

Frequently Asked Questions

What is the IUPAC name of 3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 27518057) is 3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide is CCCCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCO2)c1.
What is the InChIKey of 3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is SEGSSUHCAZMOEK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-2-3-9-18-23(20,21)15-8-4-6-13(11-15)16(19)17-12-14-7-5-10-22-14/h4,6,8,11,14,18H,2-3,5,7,9-10,12H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of 3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 340.44 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 27518057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).