methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate

C14H19NO5S — CID 94815589

IUPACmethyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate
SMILESCC[C@](C)(NS(=O)(=O)c1cccc(C(C)=O)c1)C(=O)OC
InChIInChI=1S/C14H19NO5S/c1-5-14(3,13(17)20-4)15-21(18,19)12-8-6-7-11(9-12)10(2)16/h6-9,15H,5H2,1-4H3/t14-/m0/s1
InChIKeyRQMJHDJRXFHEDG-AWEZNQCLSA-N
MW313.38 g/mol
LogP1.51
Rot. Bonds6

About methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate

methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate (PubChem CID 94815589) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate
PubChem CID94815589
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate
SMILESCC[C@](C)(NS(=O)(=O)c1cccc(C(C)=O)c1)C(=O)OC
InChIInChI=1S/C14H19NO5S/c1-5-14(3,13(17)20-4)15-21(18,19)12-8-6-7-11(9-12)10(2)16/h6-9,15H,5H2,1-4H3/t14-/m0/s1
InChIKeyRQMJHDJRXFHEDG-AWEZNQCLSA-N
XLogP1.51
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate 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

3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042547
3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide
CID 84591289
3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
CID 8778291
3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 115310619
3-acetyl-N-(3,3-dimethyl-2-oxobutyl)benzenesulfonamide
CID 64994049
ethyl 3-(2-methylbutan-2-ylsulfamoyl)benzoate
CID 60610967
3-acetyl-N-[2-(4-bromophenyl)propan-2-yl]benzenesulfonamide
CID 39703790
tert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate
CID 110669033
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
3-acetyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966562
3-acetyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]benzenesulfonamide
CID 2449996

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate?
The IUPAC name of methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate (CID 94815589) is methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate.
What is the SMILES notation for methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate?
The canonical SMILES for methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate is CC[C@](C)(NS(=O)(=O)c1cccc(C(C)=O)c1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate?
The InChIKey is RQMJHDJRXFHEDG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-5-14(3,13(17)20-4)15-21(18,19)12-8-6-7-11(9-12)10(2)16/h6-9,15H,5H2,1-4H3/t14-/m0/s1.
What are the key properties of methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate?
methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate has a molecular weight of 313.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate is sourced from PubChem (CID 94815589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).