N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide

C13H18N2O4S — CID 62917136

IUPACN-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C13H18N2O4S/c1-10(16)14-8-11-2-4-13(5-3-11)20(18,19)15-7-6-12(17)9-15/h2-5,12,17H,6-9H2,1H3,(H,14,16)
InChIKeyRVJDZDVLWBWDBV-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.08
Rot. Bonds4

About N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide

N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide (PubChem CID 62917136) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide
PubChem CID62917136
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C13H18N2O4S/c1-10(16)14-8-11-2-4-13(5-3-11)20(18,19)15-7-6-12(17)9-15/h2-5,12,17H,6-9H2,1H3,(H,14,16)
InChIKeyRVJDZDVLWBWDBV-UHFFFAOYSA-N
XLogP0.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide 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

1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
N-[[4-(4-oxopiperidin-1-yl)sulfonylphenyl]methyl]acetamide
CID 59772975
1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol
CID 61435532
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]acetonitrile
CID 79185826
1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol
CID 61435583
4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 46820186
N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 62917587
(2S)-1-[4-(acetamidomethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 119126258
1-(4-iodophenyl)sulfonylpyrrolidin-3-ol
CID 62918644
3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol
CID 114679139

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide?
The IUPAC name of N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide (CID 62917136) is N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)N2CCC(O)C2)cc1.
What is the InChIKey of N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide?
The InChIKey is RVJDZDVLWBWDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10(16)14-8-11-2-4-13(5-3-11)20(18,19)15-7-6-12(17)9-15/h2-5,12,17H,6-9H2,1H3,(H,14,16).
What are the key properties of N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide?
N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide has a molecular weight of 298.36 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide is sourced from PubChem (CID 62917136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).