N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide

C15H22F2N2O3S — CID 119588784

IUPACN-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide
SMILESCC(C)CC(CN)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H22F2N2O3S/c1-10(2)7-13(8-18)19-14(20)12-5-3-11(4-6-12)9-23(21,22)15(16)17/h3-6,10,13,15H,7-9,18H2,1-2H3,(H,19,20)
InChIKeyDKNAPXZGHDPQEN-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.93
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide

N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide (PubChem CID 119588784) has the molecular formula C15H22F2N2O3S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide
PubChem CID119588784
Molecular FormulaC15H22F2N2O3S
Molecular Weight348.42 g/mol
Exact Mass348.13
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide
SMILESCC(C)CC(CN)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H22F2N2O3S/c1-10(2)7-13(8-18)19-14(20)12-5-3-11(4-6-12)9-23(21,22)15(16)17/h3-6,10,13,15H,7-9,18H2,1-2H3,(H,19,20)
InChIKeyDKNAPXZGHDPQEN-UHFFFAOYSA-N
XLogP1.93
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride
CID 120508261
N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide
CID 119588043
N-(1-amino-4-methylpentan-2-yl)-4-[(ethylsulfonylamino)methyl]benzamide
CID 119587508
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 96534711
N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119586202
N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119586687
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-methylsulfonylbenzamide
CID 119586545
N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
CID 55242929
N-(1-amino-4-methylpentan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119586887
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
CID 103807055

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide (CID 119588784) is N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide is CC(C)CC(CN)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide?
The InChIKey is DKNAPXZGHDPQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3S/c1-10(2)7-13(8-18)19-14(20)12-5-3-11(4-6-12)9-23(21,22)15(16)17/h3-6,10,13,15H,7-9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide?
N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide has a molecular weight of 348.42 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide is sourced from PubChem (CID 119588784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).