N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide

C19H22F2N2O3S — CID 55557770

IUPACN-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C19H22F2N2O3S/c1-13-4-6-16(10-14(13)2)27(25,26)22-9-8-19(24)23(3)12-15-5-7-17(20)18(21)11-15/h4-7,10-11,22H,8-9,12H2,1-3H3
InChIKeyMDRAHABPXOAFJG-UHFFFAOYSA-N
MW396.46 g/mol
LogP2.91
Rot. Bonds7

About N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide

N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 55557770) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID55557770
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C19H22F2N2O3S/c1-13-4-6-16(10-14(13)2)27(25,26)22-9-8-19(24)23(3)12-15-5-7-17(20)18(21)11-15/h4-7,10-11,22H,8-9,12H2,1-3H3
InChIKeyMDRAHABPXOAFJG-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 55348829
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 9368930
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 31327075
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 4807517
3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 51162789
N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26594048
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 33147743
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 7972326
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139161
N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 24549977
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 55408072
N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 39860929

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide (CID 55557770) is N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide is Cc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(F)c(F)c2)cc1C.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is MDRAHABPXOAFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-13-4-6-16(10-14(13)2)27(25,26)22-9-8-19(24)23(3)12-15-5-7-17(20)18(21)11-15/h4-7,10-11,22H,8-9,12H2,1-3H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 396.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 55557770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).