methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate

C21H26N2O7S — CID 55940508

IUPACmethyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C21H26N2O7S/c1-14(2)20(23-31(26,27)18-11-9-16(28-3)10-12-18)21(25)22-15-5-7-17(8-6-15)30-13-19(24)29-4/h5-12,14,20,23H,13H2,1-4H3,(H,22,25)/t20-/m0/s1
InChIKeyQATRLAWJRVLVBB-FQEVSTJZSA-N
MW450.51 g/mol
LogP2.19
Rot. Bonds10

About methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate

methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate (PubChem CID 55940508) has the molecular formula C21H26N2O7S and a molecular weight of 450.51 g/mol. Its IUPAC name is methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate
PubChem CID55940508
Molecular FormulaC21H26N2O7S
Molecular Weight450.51 g/mol
Exact Mass450.15
IUPAC Namemethyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C21H26N2O7S/c1-14(2)20(23-31(26,27)18-11-9-16(28-3)10-12-18)21(25)22-15-5-7-17(8-6-15)30-13-19(24)29-4/h5-12,14,20,23H,13H2,1-4H3,(H,22,25)/t20-/m0/s1
InChIKeyQATRLAWJRVLVBB-FQEVSTJZSA-N
XLogP2.19
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate 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

4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide
CID 56527365
(2R)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 10363964
N-[2-(ethylamino)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119508078
methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate
CID 79011577
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 55940434
(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 24538272
methyl 2-[4-[[(2R)-2-aminopropanoyl]amino]phenoxy]acetate;hydrochloride
CID 119283548
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 30770667
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
N-[4-[1-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46599200
methyl 2-[4-[(3-chloro-2-methylpropanoyl)amino]phenoxy]acetate
CID 62729425
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate (CID 55940508) is methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(OC)cc2)C(C)C)cc1.
What is the InChIKey of methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate?
The InChIKey is QATRLAWJRVLVBB-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O7S/c1-14(2)20(23-31(26,27)18-11-9-16(28-3)10-12-18)21(25)22-15-5-7-17(8-6-15)30-13-19(24)29-4/h5-12,14,20,23H,13H2,1-4H3,(H,22,25)/t20-/m0/s1.
What are the key properties of methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate?
methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate has a molecular weight of 450.51 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate is sourced from PubChem (CID 55940508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).