4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide

C21H25F2N3O4S — CID 42961976

IUPAC4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)N(C)C
InChIInChI=1S/C21H25F2N3O4S/c1-13(2)11-19(21(28)26(3)4)24-20(27)14-5-7-15(8-6-14)25-31(29,30)16-9-10-17(22)18(23)12-16/h5-10,12-13,19,25H,11H2,1-4H3,(H,24,27)
InChIKeyWNYZGPRMRZYYGB-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.00
Rot. Bonds8

About 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide

4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 42961976) has the molecular formula C21H25F2N3O4S and a molecular weight of 453.51 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
PubChem CID42961976
Molecular FormulaC21H25F2N3O4S
Molecular Weight453.51 g/mol
Exact Mass453.15
IUPAC Name4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)N(C)C
InChIInChI=1S/C21H25F2N3O4S/c1-13(2)11-19(21(28)26(3)4)24-20(27)14-5-7-15(8-6-14)25-31(29,30)16-9-10-17(22)18(23)12-16/h5-10,12-13,19,25H,11H2,1-4H3,(H,24,27)
InChIKeyWNYZGPRMRZYYGB-UHFFFAOYSA-N
XLogP3.00
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide
CID 103706839
N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide
CID 51950559
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 24636547
4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46613275
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 46538107
4-(aminomethyl)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43699907
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 2569077
(2R)-2-[(3,4-difluorobenzoyl)amino]-4-methylpentanoic acid
CID 42256010
N-(4-bromophenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 2374061
4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55594079
4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396412

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide (CID 42961976) is 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)N(C)C.
What is the InChIKey of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is WNYZGPRMRZYYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O4S/c1-13(2)11-19(21(28)26(3)4)24-20(27)14-5-7-15(8-6-14)25-31(29,30)16-9-10-17(22)18(23)12-16/h5-10,12-13,19,25H,11H2,1-4H3,(H,24,27).
What are the key properties of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 453.51 g/mol, XLogP of 3.00, 8 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-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 42961976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).