2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride

C12H20ClN3O3S — CID 119269225

IUPAC2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)N)cc1.Cl
InChIInChI=1S/C12H19N3O3S.ClH/c1-8(2)15-19(17,18)11-6-4-10(5-7-11)14-12(16)9(3)13;/h4-9,15H,13H2,1-3H3,(H,14,16);1H
InChIKeyLBPMXTCLCYQKPR-UHFFFAOYSA-N
MW321.83 g/mol
LogP1.08
Rot. Bonds5

About 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride

2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride (PubChem CID 119269225) has the molecular formula C12H20ClN3O3S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
PubChem CID119269225
Molecular FormulaC12H20ClN3O3S
Molecular Weight321.83 g/mol
Exact Mass321.09
IUPAC Name2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)N)cc1.Cl
InChIInChI=1S/C12H19N3O3S.ClH/c1-8(2)15-19(17,18)11-6-4-10(5-7-11)14-12(16)9(3)13;/h4-9,15H,13H2,1-3H3,(H,14,16);1H
InChIKeyLBPMXTCLCYQKPR-UHFFFAOYSA-N
XLogP1.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
2,2-diphenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 1263402
(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219440
2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 18668315
(2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 9219372
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide
CID 26715230
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 4780829
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 2569295
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride (CID 119269225) is 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride is CC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)N)cc1.Cl.
What is the InChIKey of 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride?
The InChIKey is LBPMXTCLCYQKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S.ClH/c1-8(2)15-19(17,18)11-6-4-10(5-7-11)14-12(16)9(3)13;/h4-9,15H,13H2,1-3H3,(H,14,16);1H.
What are the key properties of 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride?
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride has a molecular weight of 321.83 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119269225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).