methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate

C15H23NO5S — CID 95981928

IUPACmethyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate
SMILESCOC(=O)[C@H](CNS(=O)(=O)c1ccccc1OC)CC(C)C
InChIInChI=1S/C15H23NO5S/c1-11(2)9-12(15(17)21-4)10-16-22(18,19)14-8-6-5-7-13(14)20-3/h5-8,11-12,16H,9-10H2,1-4H3/t12-/m0/s1
InChIKeyMAVFNUKLGAIPJQ-LBPRGKRZSA-N
MW329.42 g/mol
LogP1.81
Rot. Bonds8

About methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate

methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate (PubChem CID 95981928) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate
PubChem CID95981928
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC Namemethyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate
SMILESCOC(=O)[C@H](CNS(=O)(=O)c1ccccc1OC)CC(C)C
InChIInChI=1S/C15H23NO5S/c1-11(2)9-12(15(17)21-4)10-16-22(18,19)14-8-6-5-7-13(14)20-3/h5-8,11-12,16H,9-10H2,1-4H3/t12-/m0/s1
InChIKeyMAVFNUKLGAIPJQ-LBPRGKRZSA-N
XLogP1.81
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate 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

trans-4-({[(4-Methoxyphenyl)sulfonyl]amino}methyl)cyclohexanecarboxylic acid
CID 705735
N-[(4-methoxyphenyl)sulfonyl]norvaline
CID 3745781
L-Valine, N-[(4-methoxyphenyl)sulfonyl]-
CID 1133587
2,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide
CID 16194106
N-[(4-methoxyphenyl)sulfonyl]norleucine
CID 2907798
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 3236228
methyl 2(R)-[[4-methoxybenzenesulfonyl]amino]-3-methylbutanoate
CID 10946547
2-{[(4-Methoxyphenyl)sulfonyl]amino}-4-methylpentanoic acid
CID 3430401
2-[(4-Methoxyphenyl)sulfonylamino]-3-methylpentanoic acid
CID 5039028
4-methoxy-N-[(3S)-5-oxo-4,4-dipropyloxolan-3-yl]benzenesulfonamide
CID 9928590
3-(4-Methoxybenzenesulfonamido)propanoic acid
CID 757377
2-(4-Methoxy-benzenesulfonylamino)-3-methyl-butyric acid
CID 3145516

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate?
The IUPAC name of methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate (CID 95981928) is methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate is COC(=O)[C@H](CNS(=O)(=O)c1ccccc1OC)CC(C)C.
What is the InChIKey of methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate?
The InChIKey is MAVFNUKLGAIPJQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-11(2)9-12(15(17)21-4)10-16-22(18,19)14-8-6-5-7-13(14)20-3/h5-8,11-12,16H,9-10H2,1-4H3/t12-/m0/s1.
What are the key properties of methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate?
methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate has a molecular weight of 329.42 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate is sourced from PubChem (CID 95981928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).