4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide

C21H20F2N2O3S2 — CID 46613275

IUPAC4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
SMILESCC(C)C(NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccs1
InChIInChI=1S/C21H20F2N2O3S2/c1-13(2)20(19-4-3-11-29-19)24-21(26)14-5-7-15(8-6-14)25-30(27,28)16-9-10-17(22)18(23)12-16/h3-13,20,25H,1-2H3,(H,24,26)
InChIKeyBDFLZNWQADYICG-UHFFFAOYSA-N
MW450.53 g/mol
LogP4.95
Rot. Bonds7

About 4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide

4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide (PubChem CID 46613275) has the molecular formula C21H20F2N2O3S2 and a molecular weight of 450.53 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
PubChem CID46613275
Molecular FormulaC21H20F2N2O3S2
Molecular Weight450.53 g/mol
Exact Mass450.09
IUPAC Name4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
SMILESCC(C)C(NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccs1
InChIInChI=1S/C21H20F2N2O3S2/c1-13(2)20(19-4-3-11-29-19)24-21(26)14-5-7-15(8-6-14)25-30(27,28)16-9-10-17(22)18(23)12-16/h3-13,20,25H,1-2H3,(H,24,26)
InChIKeyBDFLZNWQADYICG-UHFFFAOYSA-N
XLogP4.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1-thiophen-2-ylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46613254
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637
4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 42961976
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46613291
3-[(2-chlorophenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46691959
N-(4-bromophenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 2374061
N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 132672589
4-[(2-fluorophenyl)sulfamoyl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrrole-2-carboxamide
CID 51950892
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 24636547
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
CID 46512688
N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-4-morpholin-4-ylsulfonylbenzamide
CID 9051733

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide (CID 46613275) is 4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide is CC(C)C(NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccs1.
What is the InChIKey of 4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The InChIKey is BDFLZNWQADYICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O3S2/c1-13(2)20(19-4-3-11-29-19)24-21(26)14-5-7-15(8-6-14)25-30(27,28)16-9-10-17(22)18(23)12-16/h3-13,20,25H,1-2H3,(H,24,26).
What are the key properties of 4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide has a molecular weight of 450.53 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 46613275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).