N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide

C14H21FN2O3S — CID 113148460

IUPACN-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CN(CC(=O)NCc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-11(2)9-17(21(3,19)20)10-14(18)16-8-12-6-4-5-7-13(12)15/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyNKYNXRWMSYVPIX-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.36
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide

N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide (PubChem CID 113148460) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
PubChem CID113148460
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CN(CC(=O)NCc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-11(2)9-17(21(3,19)20)10-14(18)16-8-12-6-4-5-7-13(12)15/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyNKYNXRWMSYVPIX-UHFFFAOYSA-N
XLogP1.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148464
N-[(2-fluorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151835
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113154680
2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113152857
2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068243
N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153214
2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113151927
N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
CID 108946249
2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 113151923
N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62022576
2-[2-methylpropyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113148570
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113156780

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide (CID 113148460) is N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide is CC(C)CN(CC(=O)NCc1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The InChIKey is NKYNXRWMSYVPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-11(2)9-17(21(3,19)20)10-14(18)16-8-12-6-4-5-7-13(12)15/h4-7,11H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide has a molecular weight of 316.40 g/mol, XLogP of 1.36, 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]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113148460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).