N-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide

C18H20BrFN2O3S — CID 43872619

IUPACN-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCC(NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrFN2O3S/c1-13(15-5-7-16(19)8-6-15)21-18(23)12-22(26(2,24)25)11-14-3-9-17(20)10-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyRAKGCPIKKVFMNS-UHFFFAOYSA-N
MW443.34 g/mol
LogP3.23
Rot. Bonds7

About N-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide

N-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 43872619) has the molecular formula C18H20BrFN2O3S and a molecular weight of 443.34 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
PubChem CID43872619
Molecular FormulaC18H20BrFN2O3S
Molecular Weight443.34 g/mol
Exact Mass442.04
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCC(NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrFN2O3S/c1-13(15-5-7-16(19)8-6-15)21-18(23)12-22(26(2,24)25)11-14-3-9-17(20)10-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyRAKGCPIKKVFMNS-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43906174
N-[1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 43871903
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 43872621
N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47097775
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906283
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401160
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 28544752
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 133178675
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401044
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165835
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2231151

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide (CID 43872619) is N-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide is CC(NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is RAKGCPIKKVFMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O3S/c1-13(15-5-7-16(19)8-6-15)21-18(23)12-22(26(2,24)25)11-14-3-9-17(20)10-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
N-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 443.34 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 43872619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).