N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride

C16H25ClF3N3O3S — CID 119660989

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H24F3N3O3S.ClH/c1-11(2)14(20)7-8-22(3)15(23)10-21-26(24,25)13-6-4-5-12(9-13)16(17,18)19;/h4-6,9,11,14,21H,7-8,10,20H2,1-3H3;1H
InChIKeyPMYPMGJQVJXLFS-UHFFFAOYSA-N
MW431.91 g/mol
LogP2.24
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride (PubChem CID 119660989) has the molecular formula C16H25ClF3N3O3S and a molecular weight of 431.91 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
PubChem CID119660989
Molecular FormulaC16H25ClF3N3O3S
Molecular Weight431.91 g/mol
Exact Mass431.13
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H24F3N3O3S.ClH/c1-11(2)14(20)7-8-22(3)15(23)10-21-26(24,25)13-6-4-5-12(9-13)16(17,18)19;/h4-6,9,11,14,21H,7-8,10,20H2,1-3H3;1H
InChIKeyPMYPMGJQVJXLFS-UHFFFAOYSA-N
XLogP2.24
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.91
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[methyl-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]acetate
CID 56548130
N-[(4-bromophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55328980
N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78781511
2-[butan-2-yl-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]acetic acid
CID 119954511
N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
CID 119658653
3-methyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119169773
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55324335
methyl 3-[2-methylpropyl-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanoate
CID 56549141
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119657347
N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43606280
N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548694

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride (CID 119660989) is N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride?
The InChIKey is PMYPMGJQVJXLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O3S.ClH/c1-11(2)14(20)7-8-22(3)15(23)10-21-26(24,25)13-6-4-5-12(9-13)16(17,18)19;/h4-6,9,11,14,21H,7-8,10,20H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride has a molecular weight of 431.91 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride is sourced from PubChem (CID 119660989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).