N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C20H24N2O4S — CID 74632236

IUPACN-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCc1cccc(CNC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C20H24N2O4S/c1-15-5-2-6-16(11-15)13-21-20(23)17-7-3-9-19(12-17)27(24,25)22-14-18-8-4-10-26-18/h2-3,5-7,9,11-12,18,22H,4,8,10,13-14H2,1H3,(H,21,23)
InChIKeyFPSWMUCLEPTKIE-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.38
Rot. Bonds7

About N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 74632236) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID74632236
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCc1cccc(CNC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C20H24N2O4S/c1-15-5-2-6-16(11-15)13-21-20(23)17-7-3-9-19(12-17)27(24,25)22-14-18-8-4-10-26-18/h2-3,5-7,9,11-12,18,22H,4,8,10,13-14H2,1H3,(H,21,23)
InChIKeyFPSWMUCLEPTKIE-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 75871785
N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646084
N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 18207149
N-[(4-bromothiophen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55867907
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9165383
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 43020050
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43045382
N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46651547

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 74632236) is N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is FPSWMUCLEPTKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-5-2-6-16(11-15)13-21-20(23)17-7-3-9-19(12-17)27(24,25)22-14-18-8-4-10-26-18/h2-3,5-7,9,11-12,18,22H,4,8,10,13-14H2,1H3,(H,21,23).
What are the key properties of N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 74632236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).