N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride

C17H26ClN5O3S — CID 119525994

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1.Cl
InChIInChI=1S/C17H25N5O3S.ClH/c1-12(2)13-4-6-14(7-5-13)16(18)9-19-17(23)10-21-26(24,25)15-8-20-22(3)11-15;/h4-8,11-12,16,21H,9-10,18H2,1-3H3,(H,19,23);1H
InChIKeyGLHFQDUBJTYNIH-UHFFFAOYSA-N
MW415.95 g/mol
LogP1.06
Rot. Bonds8

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride (PubChem CID 119525994) has the molecular formula C17H26ClN5O3S and a molecular weight of 415.95 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
PubChem CID119525994
Molecular FormulaC17H26ClN5O3S
Molecular Weight415.95 g/mol
Exact Mass415.14
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1.Cl
InChIInChI=1S/C17H25N5O3S.ClH/c1-12(2)13-4-6-14(7-5-13)16(18)9-19-17(23)10-21-26(24,25)15-8-20-22(3)11-15;/h4-8,11-12,16,21H,9-10,18H2,1-3H3,(H,19,23);1H
InChIKeyGLHFQDUBJTYNIH-UHFFFAOYSA-N
XLogP1.06
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
N-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836105
2-[3-[[(1-Methylpyrazol-4-yl)sulfonylamino]methyl]phenyl]-3-phenylpropanamide
CID 56836596
US9580411, Example 82
CID 73507644
1-ethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6470517
N-(1-pyrazol-1-ylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
CID 45818444
N-(1-cyclopropylethyl)-2-(4-phenylpyrazol-1-yl)acetamide
CID 51097192
2-(4-phenylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 51097193
2-[4-(4-methylphenyl)pyrazol-1-yl]-N-propan-2-ylacetamide
CID 51100840
N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide
CID 51103233
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
CID 51130913
1-(1-Pyrazol-1-ylpropan-2-yl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 53518822

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride (CID 119525994) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride is CC(C)c1ccc(C(N)CNC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride?
The InChIKey is GLHFQDUBJTYNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S.ClH/c1-12(2)13-4-6-14(7-5-13)16(18)9-19-17(23)10-21-26(24,25)15-8-20-22(3)11-15;/h4-8,11-12,16,21H,9-10,18H2,1-3H3,(H,19,23);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride has a molecular weight of 415.95 g/mol, XLogP of 1.06, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride is sourced from PubChem (CID 119525994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).