2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide

C19H24FN3O3S — CID 100771196

IUPAC2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCN(CCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H24FN3O3S/c1-22(17-9-4-3-5-10-17)13-12-21-19(24)15-23(27(2,25)26)14-16-8-6-7-11-18(16)20/h3-11H,12-15H2,1-2H3,(H,21,24)
InChIKeyMHDMSTKDPLUATC-UHFFFAOYSA-N
MW393.48 g/mol
LogP1.84
Rot. Bonds9

About 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide

2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide (PubChem CID 100771196) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide
PubChem CID100771196
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC Name2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCN(CCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H24FN3O3S/c1-22(17-9-4-3-5-10-17)13-12-21-19(24)15-23(27(2,25)26)14-16-8-6-7-11-18(16)20/h3-11H,12-15H2,1-2H3,(H,21,24)
InChIKeyMHDMSTKDPLUATC-UHFFFAOYSA-N
XLogP1.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 100717418
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150529
2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30219322
2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066894
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 100557424
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113150969
N-[(2-fluorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151835
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30217607
tert-butyl N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]carbamate
CID 113066925
2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30242397
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 113150542
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 113150938

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide (CID 100771196) is 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide is CN(CCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide?
The InChIKey is MHDMSTKDPLUATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-22(17-9-4-3-5-10-17)13-12-21-19(24)15-23(27(2,25)26)14-16-8-6-7-11-18(16)20/h3-11H,12-15H2,1-2H3,(H,21,24).
What are the key properties of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide?
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide has a molecular weight of 393.48 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide is sourced from PubChem (CID 100771196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).