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

C15H21ClF3N3O4S — CID 119573275

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride
SMILESCC(CN)(NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CC1.Cl
InChIInChI=1S/C15H20F3N3O4S.ClH/c1-14(9-19,10-2-3-10)21-13(22)8-20-26(23,24)12-6-4-11(5-7-12)25-15(16,17)18;/h4-7,10,20H,2-3,8-9,19H2,1H3,(H,21,22);1H
InChIKeyBNQXWANRLKBJMN-UHFFFAOYSA-N
MW431.86 g/mol
LogP1.53
Rot. Bonds8

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

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride (PubChem CID 119573275) has the molecular formula C15H21ClF3N3O4S and a molecular weight of 431.86 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride
PubChem CID119573275
Molecular FormulaC15H21ClF3N3O4S
Molecular Weight431.86 g/mol
Exact Mass431.09
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride
SMILESCC(CN)(NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CC1.Cl
InChIInChI=1S/C15H20F3N3O4S.ClH/c1-14(9-19,10-2-3-10)21-13(22)8-20-26(23,24)12-6-4-11(5-7-12)25-15(16,17)18;/h4-7,10,20H,2-3,8-9,19H2,1H3,(H,21,22);1H
InChIKeyBNQXWANRLKBJMN-UHFFFAOYSA-N
XLogP1.53
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.86
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride with MolForge

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide;hydrochloride
CID 119575166
N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 90499413
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
N-(1-amino-4-methylpentan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 119586355
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 119484362
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119572841
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 119981759
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119573606
N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 78770478
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 119575169
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119572727
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 120805043

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride (CID 119573275) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride is CC(CN)(NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride?
The InChIKey is BNQXWANRLKBJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O4S.ClH/c1-14(9-19,10-2-3-10)21-13(22)8-20-26(23,24)12-6-4-11(5-7-12)25-15(16,17)18;/h4-7,10,20H,2-3,8-9,19H2,1H3,(H,21,22);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride has a molecular weight of 431.86 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide;hydrochloride is sourced from PubChem (CID 119573275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).