N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide

C12H17FN2O3S — CID 113066937

IUPACN-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCN(Cc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C12H17FN2O3S/c1-10(16)14-7-8-15(19(2,17)18)9-11-3-5-12(13)6-4-11/h3-6H,7-9H2,1-2H3,(H,14,16)
InChIKeyTZGGOIJKADPHIB-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.72
Rot. Bonds6

About N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide

N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide (PubChem CID 113066937) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide
PubChem CID113066937
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCN(Cc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C12H17FN2O3S/c1-10(16)14-7-8-15(19(2,17)18)9-11-3-5-12(13)6-4-11/h3-6H,7-9H2,1-2H3,(H,14,16)
InChIKeyTZGGOIJKADPHIB-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]carbamate
CID 113066983
2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066969
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113066986
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(3-methylbutyl)propanamide
CID 113139337
N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
CID 113066748
2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
CID 113066750
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide
CID 113066552
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113067077
2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide
CID 113066757
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113150994
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 113139312

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide (CID 113066937) is N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide is CC(=O)NCCN(Cc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide?
The InChIKey is TZGGOIJKADPHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-10(16)14-7-8-15(19(2,17)18)9-11-3-5-12(13)6-4-11/h3-6H,7-9H2,1-2H3,(H,14,16).
What are the key properties of N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide?
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide has a molecular weight of 288.34 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113066937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).