methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate

C18H20N2O5S — CID 1119907

IUPACmethyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H20N2O5S/c1-14(21)19-16-8-10-17(11-9-16)26(23,24)20(13-18(22)25-2)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,19,21)
InChIKeyOAVZUNOSHIMMSD-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.01
Rot. Bonds7

About methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate

methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate (PubChem CID 1119907) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate
PubChem CID1119907
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Namemethyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H20N2O5S/c1-14(21)19-16-8-10-17(11-9-16)26(23,24)20(13-18(22)25-2)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,19,21)
InChIKeyOAVZUNOSHIMMSD-UHFFFAOYSA-N
XLogP2.01
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
CID 141361158
N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide
CID 7919284
methyl 2-[benzyl-[4-(diethylcarbamoyl)phenyl]sulfonylamino]acetate
CID 47956024
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136742007
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136764592
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 3136727
methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate
CID 50889081
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 1209132
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
ethyl 2-[4-[[2-[benzyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100789939
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126086784

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate?
The IUPAC name of methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate (CID 1119907) is methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate.
What is the SMILES notation for methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate?
The canonical SMILES for methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate is COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate?
The InChIKey is OAVZUNOSHIMMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-14(21)19-16-8-10-17(11-9-16)26(23,24)20(13-18(22)25-2)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,19,21).
What are the key properties of methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate?
methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate has a molecular weight of 376.43 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate is sourced from PubChem (CID 1119907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).