2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide

C18H18BrF2N3O4S — CID 55790506

IUPAC2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H18BrF2N3O4S/c1-22-18(26)17(11-3-8-14(20)15(21)9-11)23-16(25)10-24(2)29(27,28)13-6-4-12(19)5-7-13/h3-9,17H,10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyOGPRGGHMYGPPNG-UHFFFAOYSA-N
MW490.33 g/mol
LogP1.95
Rot. Bonds7

About 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide

2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide (PubChem CID 55790506) has the molecular formula C18H18BrF2N3O4S and a molecular weight of 490.33 g/mol. Its IUPAC name is 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
PubChem CID55790506
Molecular FormulaC18H18BrF2N3O4S
Molecular Weight490.33 g/mol
Exact Mass489.02
IUPAC Name2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H18BrF2N3O4S/c1-22-18(26)17(11-3-8-14(20)15(21)9-11)23-16(25)10-24(2)29(27,28)13-6-4-12(19)5-7-13/h3-9,17H,10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyOGPRGGHMYGPPNG-UHFFFAOYSA-N
XLogP1.95
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 26714215
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 55779481
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004
2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]butanoic acid
CID 119223647
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 55502156
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide
CID 28544998
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 27254891
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871944
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9410067
N-[4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]phenyl]-3-methylbutanamide
CID 38950843
2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The IUPAC name of 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide (CID 55790506) is 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide is CNC(=O)C(NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The InChIKey is OGPRGGHMYGPPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF2N3O4S/c1-22-18(26)17(11-3-8-14(20)15(21)9-11)23-16(25)10-24(2)29(27,28)13-6-4-12(19)5-7-13/h3-9,17H,10H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide has a molecular weight of 490.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide is sourced from PubChem (CID 55790506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).