2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide

C22H20BrFN2O3S — CID 55779481

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
SMILESCN(CC(=O)NC(c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H20BrFN2O3S/c1-26(30(28,29)20-13-9-18(23)10-14-20)15-21(27)25-22(16-5-3-2-4-6-16)17-7-11-19(24)12-8-17/h2-14,22H,15H2,1H3,(H,25,27)
InChIKeyJLAVFGUWZBIPAW-UHFFFAOYSA-N
MW491.38 g/mol
LogP4.11
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide (PubChem CID 55779481) has the molecular formula C22H20BrFN2O3S and a molecular weight of 491.38 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
PubChem CID55779481
Molecular FormulaC22H20BrFN2O3S
Molecular Weight491.38 g/mol
Exact Mass490.04
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
SMILESCN(CC(=O)NC(c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H20BrFN2O3S/c1-26(30(28,29)20-13-9-18(23)10-14-20)15-21(27)25-22(16-5-3-2-4-6-16)17-7-11-19(24)12-8-17/h2-14,22H,15H2,1H3,(H,25,27)
InChIKeyJLAVFGUWZBIPAW-UHFFFAOYSA-N
XLogP4.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9410067
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46404131
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(R)-(3-methylphenyl)-phenylmethyl]acetamide
CID 125063696
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide
CID 28544998
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide
CID 17434301
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 133219172
2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]butanoic acid
CID 119223647
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 125063667
2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 112827216
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 26714215

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide (CID 55779481) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide is CN(CC(=O)NC(c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide?
The InChIKey is JLAVFGUWZBIPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrFN2O3S/c1-26(30(28,29)20-13-9-18(23)10-14-20)15-21(27)25-22(16-5-3-2-4-6-16)17-7-11-19(24)12-8-17/h2-14,22H,15H2,1H3,(H,25,27).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide has a molecular weight of 491.38 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 55779481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).