N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride

C15H21ClF2N2O3S — CID 119573606

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
SMILESCC(CN)(NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)C1CC1.Cl
InChIInChI=1S/C15H20F2N2O3S.ClH/c1-15(9-18,11-4-5-11)19-13(20)8-10-2-6-12(7-3-10)23(21,22)14(16)17;/h2-3,6-7,11,14H,4-5,8-9,18H2,1H3,(H,19,20);1H
InChIKeyQNVAGBYVUHDIAW-UHFFFAOYSA-N
MW382.86 g/mol
LogP1.89
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride (PubChem CID 119573606) has the molecular formula C15H21ClF2N2O3S and a molecular weight of 382.86 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
PubChem CID119573606
Molecular FormulaC15H21ClF2N2O3S
Molecular Weight382.86 g/mol
Exact Mass382.09
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
SMILESCC(CN)(NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)C1CC1.Cl
InChIInChI=1S/C15H20F2N2O3S.ClH/c1-15(9-18,11-4-5-11)19-13(20)8-10-2-6-12(7-3-10)23(21,22)14(16)17;/h2-3,6-7,11,14H,4-5,8-9,18H2,1H3,(H,19,20);1H
InChIKeyQNVAGBYVUHDIAW-UHFFFAOYSA-N
XLogP1.89
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-phenylphenyl)acetamide;hydrochloride
CID 119572218
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromophenyl)acetamide;hydrochloride
CID 119574165
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119573230
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-chlorophenyl)acetamide
CID 81487152
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119573576
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119574924
N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119610407
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119572402
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119575277
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119574829
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119573786
N-(1-amino-2-cyclopropylpropan-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 119574755

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride (CID 119573606) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride is CC(CN)(NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride?
The InChIKey is QNVAGBYVUHDIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S.ClH/c1-15(9-18,11-4-5-11)19-13(20)8-10-2-6-12(7-3-10)23(21,22)14(16)17;/h2-3,6-7,11,14H,4-5,8-9,18H2,1H3,(H,19,20);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride has a molecular weight of 382.86 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119573606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).