methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate

C23H23NO5S — CID 5244310

IUPACmethyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1N(Cc1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H23NO5S/c1-17-11-13-20(14-12-17)30(26,27)24(16-18-7-6-8-19(15-18)28-2)22-10-5-4-9-21(22)23(25)29-3/h4-15H,16H2,1-3H3
InChIKeyFRQZGUIXELNRHC-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.19
Rot. Bonds7

About methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate

methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate (PubChem CID 5244310) has the molecular formula C23H23NO5S and a molecular weight of 425.51 g/mol. Its IUPAC name is methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate
PubChem CID5244310
Molecular FormulaC23H23NO5S
Molecular Weight425.51 g/mol
Exact Mass425.13
IUPAC Namemethyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1N(Cc1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H23NO5S/c1-17-11-13-20(14-12-17)30(26,27)24(16-18-7-6-8-19(15-18)28-2)22-10-5-4-9-21(22)23(25)29-3/h4-15H,16H2,1-3H3
InChIKeyFRQZGUIXELNRHC-UHFFFAOYSA-N
XLogP4.19
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)benzamide
CID 17312901
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 2262005
N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46022175
2-[[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-methylbutanamide
CID 132686383
(2R)-2-[(3-methoxyphenyl)methyl-[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 125049467
2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzoate
CID 6968685
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]benzamide
CID 99940224
2-[[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132742998
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]butanamide
CID 125092156
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]butanamide
CID 100744701
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 125093683
N-ethyl-2-[[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 132638744

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate (CID 5244310) is methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate is COC(=O)c1ccccc1N(Cc1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate?
The InChIKey is FRQZGUIXELNRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5S/c1-17-11-13-20(14-12-17)30(26,27)24(16-18-7-6-8-19(15-18)28-2)22-10-5-4-9-21(22)23(25)29-3/h4-15H,16H2,1-3H3.
What are the key properties of methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate?
methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate has a molecular weight of 425.51 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 5244310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).