N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide

C18H21FN2O3S — CID 37137902

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2F)c1
InChIInChI=1S/C18H21FN2O3S/c1-3-11-25(23,24)20-16-9-6-8-14(12-16)18(22)21(2)13-15-7-4-5-10-17(15)19/h4-10,12,20H,3,11,13H2,1-2H3
InChIKeyFTTZOLZTNDZSQN-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.25
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide

N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide (PubChem CID 37137902) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide
PubChem CID37137902
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2F)c1
InChIInChI=1S/C18H21FN2O3S/c1-3-11-25(23,24)20-16-9-6-8-14(12-16)18(22)21(2)13-15-7-4-5-10-17(15)19/h4-10,12,20H,3,11,13H2,1-2H3
InChIKeyFTTZOLZTNDZSQN-UHFFFAOYSA-N
XLogP3.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide
CID 36715347
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9409340
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide
CID 39320103
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31144744
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(propylsulfonylamino)benzamide
CID 25331324
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
N-[[2-(dimethylamino)-5-(propylsulfonylamino)phenyl]methyl]-3-fluoro-N-propan-2-ylbenzamide
CID 42816411
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-(propylsulfonylamino)benzamide
CID 55554652
N-[(2-fluorophenyl)methyl]-N-methyl-3-phenylmethoxybenzamide
CID 30253357

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide (CID 37137902) is N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2F)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide?
The InChIKey is FTTZOLZTNDZSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-3-11-25(23,24)20-16-9-6-8-14(12-16)18(22)21(2)13-15-7-4-5-10-17(15)19/h4-10,12,20H,3,11,13H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide?
N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide has a molecular weight of 364.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 37137902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).