2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide

C13H20N2O4S — CID 43568111

IUPAC2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1ccc(C(C)O)cc1
InChIInChI=1S/C13H20N2O4S/c1-9(2)15-13(17)8-14-20(18,19)12-6-4-11(5-7-12)10(3)16/h4-7,9-10,14,16H,8H2,1-3H3,(H,15,17)
InChIKeyWIVMLBBZZIGCPX-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.54
Rot. Bonds6

About 2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide

2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 43568111) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
PubChem CID43568111
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1ccc(C(C)O)cc1
InChIInChI=1S/C13H20N2O4S/c1-9(2)15-13(17)8-14-20(18,19)12-6-4-11(5-7-12)10(3)16/h4-7,9-10,14,16H,8H2,1-3H3,(H,15,17)
InChIKeyWIVMLBBZZIGCPX-UHFFFAOYSA-N
XLogP0.54
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664723
2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 100814427
4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546344
2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189603
2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 114614169
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43400349
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399
N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507419
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43397585
2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 60872861
N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 106341929
N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 60917467

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide (CID 43568111) is 2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNS(=O)(=O)c1ccc(C(C)O)cc1.
What is the InChIKey of 2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is WIVMLBBZZIGCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9(2)15-13(17)8-14-20(18,19)12-6-4-11(5-7-12)10(3)16/h4-7,9-10,14,16H,8H2,1-3H3,(H,15,17).
What are the key properties of 2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide?
2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 300.38 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43568111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).