methyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate

C24H23NO6S — CID 55916883

IUPACmethyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C24H23NO6S/c1-17-14-20(31-15-23(26)30-2)12-13-22(17)25-24(27)19-10-8-18(9-11-19)16-32(28,29)21-6-4-3-5-7-21/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeySAGIQFPZPWBSKN-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.77
Rot. Bonds8

About methyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate

methyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate (PubChem CID 55916883) has the molecular formula C24H23NO6S and a molecular weight of 453.52 g/mol. Its IUPAC name is methyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate
PubChem CID55916883
Molecular FormulaC24H23NO6S
Molecular Weight453.52 g/mol
Exact Mass453.12
IUPAC Namemethyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C24H23NO6S/c1-17-14-20(31-15-23(26)30-2)12-13-22(17)25-24(27)19-10-8-18(9-11-19)16-32(28,29)21-6-4-3-5-7-21/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeySAGIQFPZPWBSKN-UHFFFAOYSA-N
XLogP3.77
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-[(4-bromobenzoyl)amino]-3-methylphenoxy]acetate
CID 55916233
methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate
CID 55916624
methyl 2-[4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-3-methylphenoxy]acetate
CID 55915344
N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide
CID 55934258
methyl 2-[4-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-methylphenoxy]acetate
CID 55916102
4-(ethylsulfamoyl)-N-(2-methyl-4-phenylmethoxyphenyl)benzamide
CID 86966171
methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride
CID 119299831
methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate
CID 55917140
methyl 2-[4-[(2-anilino-2-oxoethyl)amino]-3-methylphenoxy]acetate
CID 60538614
N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 6456700
2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231412
2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 3543556

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate?
The IUPAC name of methyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate (CID 55916883) is methyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate is COC(=O)COc1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)c(C)c1.
What is the InChIKey of methyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate?
The InChIKey is SAGIQFPZPWBSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6S/c1-17-14-20(31-15-23(26)30-2)12-13-22(17)25-24(27)19-10-8-18(9-11-19)16-32(28,29)21-6-4-3-5-7-21/h3-14H,15-16H2,1-2H3,(H,25,27).
What are the key properties of methyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate?
methyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate has a molecular weight of 453.52 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate is sourced from PubChem (CID 55916883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).