2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide

C12H19N3O4S — CID 106170761

IUPAC2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NCC(O)C(N)=O
InChIInChI=1S/C12H19N3O4S/c1-8(2)15-20(18,19)11-6-4-3-5-9(11)14-7-10(16)12(13)17/h3-6,8,10,14-16H,7H2,1-2H3,(H2,13,17)
InChIKeyODKKSUAKMJUQES-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.37
Rot. Bonds7

About 2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide

2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide (PubChem CID 106170761) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
PubChem CID106170761
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NCC(O)C(N)=O
InChIInChI=1S/C12H19N3O4S/c1-8(2)15-20(18,19)11-6-4-3-5-9(11)14-7-10(16)12(13)17/h3-6,8,10,14-16H,7H2,1-2H3,(H2,13,17)
InChIKeyODKKSUAKMJUQES-UHFFFAOYSA-N
XLogP-0.37
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-(2-sulfamoylanilino)propanamide
CID 106170840
2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 168641055
2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide
CID 107257686
2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
CID 113303827
2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106277873
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
CID 107318077
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43500172
2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 103354049
N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62663937
2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383470
N-cyclopropyl-2-[2-(propan-2-ylsulfamoyl)anilino]acetamide
CID 43568444
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide?
The IUPAC name of 2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide (CID 106170761) is 2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide?
The canonical SMILES for 2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide is CC(C)NS(=O)(=O)c1ccccc1NCC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide?
The InChIKey is ODKKSUAKMJUQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8(2)15-20(18,19)11-6-4-3-5-9(11)14-7-10(16)12(13)17/h3-6,8,10,14-16H,7H2,1-2H3,(H2,13,17).
What are the key properties of 2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide?
2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide has a molecular weight of 301.37 g/mol, XLogP of -0.37, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide is sourced from PubChem (CID 106170761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).