N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide

C18H21FN2O3S — CID 113066892

IUPACN-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCN(Cc2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C18H21FN2O3S/c1-14-6-5-8-15(12-14)18(22)20-10-11-21(25(2,23)24)13-16-7-3-4-9-17(16)19/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyLVNGFJDPRKYKFD-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.33
Rot. Bonds7

About N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide

N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide (PubChem CID 113066892) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide
PubChem CID113066892
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCN(Cc2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C18H21FN2O3S/c1-14-6-5-8-15(12-14)18(22)20-10-11-21(25(2,23)24)13-16-7-3-4-9-17(16)19/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyLVNGFJDPRKYKFD-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066895
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066900
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066894
3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066651
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzamide
CID 113065954
3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113067577
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide
CID 113066889
tert-butyl N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]carbamate
CID 113066925
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113067030
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113067018

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide (CID 113066892) is N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCN(Cc2ccccc2F)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide?
The InChIKey is LVNGFJDPRKYKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-14-6-5-8-15(12-14)18(22)20-10-11-21(25(2,23)24)13-16-7-3-4-9-17(16)19/h3-9,12H,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide?
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide has a molecular weight of 364.44 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide is sourced from PubChem (CID 113066892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).