3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide

C19H23F2N3O3S — CID 55408072

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
SMILESCN(C)Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H23F2N3O3S/c1-24(2)13-15-5-3-14(4-6-15)12-22-19(25)9-10-23-28(26,27)16-7-8-17(20)18(21)11-16/h3-8,11,23H,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyOXVDJACDKZIQPJ-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.01
Rot. Bonds9

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide (PubChem CID 55408072) has the molecular formula C19H23F2N3O3S and a molecular weight of 411.47 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
PubChem CID55408072
Molecular FormulaC19H23F2N3O3S
Molecular Weight411.47 g/mol
Exact Mass411.14
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
SMILESCN(C)Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H23F2N3O3S/c1-24(2)13-15-5-3-14(4-6-15)12-22-19(25)9-10-23-28(26,27)16-7-8-17(20)18(21)11-16/h3-8,11,23H,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyOXVDJACDKZIQPJ-UHFFFAOYSA-N
XLogP2.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31544702
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 25403138
3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 86979332
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 55376345
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 86866305
N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 29261799
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide (CID 55408072) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide is CN(C)Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The InChIKey is OXVDJACDKZIQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O3S/c1-24(2)13-15-5-3-14(4-6-15)12-22-19(25)9-10-23-28(26,27)16-7-8-17(20)18(21)11-16/h3-8,11,23H,9-10,12-13H2,1-2H3,(H,22,25).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide has a molecular weight of 411.47 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 55408072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).