2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide

C13H20N2O4S — CID 106346914

IUPAC2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide
SMILESCC(O)c1cccc(S(=O)(=O)NC(C(N)=O)C(C)C)c1
InChIInChI=1S/C13H20N2O4S/c1-8(2)12(13(14)17)15-20(18,19)11-6-4-5-10(7-11)9(3)16/h4-9,12,15-16H,1-3H3,(H2,14,17)
InChIKeyZDLGGFNOWMRXQK-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.53
Rot. Bonds6

About 2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide

2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide (PubChem CID 106346914) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide
PubChem CID106346914
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide
SMILESCC(O)c1cccc(S(=O)(=O)NC(C(N)=O)C(C)C)c1
InChIInChI=1S/C13H20N2O4S/c1-8(2)12(13(14)17)15-20(18,19)11-6-4-5-10(7-11)9(3)16/h4-9,12,15-16H,1-3H3,(H2,14,17)
InChIKeyZDLGGFNOWMRXQK-UHFFFAOYSA-N
XLogP0.53
TPSA109.49 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 ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304
2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide
CID 106346489
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343811
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 142670856
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 7573425
N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide
CID 61466426
2-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]-3-methylbutanamide
CID 114176438
3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
CID 60874171
3-[(1-carboxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 3476550
methyl 2-[(3-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 3680646
(2R)-2-[(3-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29276801

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide?
The IUPAC name of 2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide (CID 106346914) is 2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide?
The canonical SMILES for 2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide is CC(O)c1cccc(S(=O)(=O)NC(C(N)=O)C(C)C)c1.
What is the InChIKey of 2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide?
The InChIKey is ZDLGGFNOWMRXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-8(2)12(13(14)17)15-20(18,19)11-6-4-5-10(7-11)9(3)16/h4-9,12,15-16H,1-3H3,(H2,14,17).
What are the key properties of 2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide?
2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide has a molecular weight of 300.38 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 106346914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).