methyl 2-[4-[(4-acetamidophenyl)sulfamoyl]phenoxy]acetate

C17H18N2O6S — CID 1302878

IUPACmethyl 2-[4-[(4-acetamidophenyl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H18N2O6S/c1-12(20)18-13-3-5-14(6-4-13)19-26(22,23)16-9-7-15(8-10-16)25-11-17(21)24-2/h3-10,19H,11H2,1-2H3,(H,18,20)
InChIKeyKTWBNQWHIGEPHF-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.00
Rot. Bonds7

About methyl 2-[4-[(4-acetamidophenyl)sulfamoyl]phenoxy]acetate

methyl 2-[4-[(4-acetamidophenyl)sulfamoyl]phenoxy]acetate (PubChem CID 1302878) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is methyl 2-[4-[(4-acetamidophenyl)sulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-acetamidophenyl)sulfamoyl]phenoxy]acetate
PubChem CID1302878
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Namemethyl 2-[4-[(4-acetamidophenyl)sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H18N2O6S/c1-12(20)18-13-3-5-14(6-4-13)19-26(22,23)16-9-7-15(8-10-16)25-11-17(21)24-2/h3-10,19H,11H2,1-2H3,(H,18,20)
InChIKeyKTWBNQWHIGEPHF-UHFFFAOYSA-N
XLogP2.00
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
Methyl [4-({[2-(methylthio)phenyl]amino}sulfonyl)phenoxy]acetate
CID 2208882
N-[4-(aminosulfonyl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 1193007
[2-Oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 3875813
N-(4-(Aminosulfonyl)phenyl)-2-(4-fluorophenoxy)acetamide
CID 716578
N4-Acetyl-N1-(4-methoxyphenyl)sulfanilamide
CID 289430
N-(2-fluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6457540
2-(4-Methoxy-phenoxy)-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide
CID 646975
{4-[4-(2-Fluoro-phenyl)-piperazine-1-sulfonyl]-phenoxy}-acetic acid methyl ester
CID 648182
2-Phenoxy-N-{4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-phenyl}-butyramide
CID 651178
N-(3-{[(4-methoxyphenyl)sulfonyl]amino}phenyl)acetamide
CID 669140
N-(4-{[(4-methoxyphenyl)sulfonyl]amino}phenyl)-N-methylacetamide
CID 742884

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-acetamidophenyl)sulfamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(4-acetamidophenyl)sulfamoyl]phenoxy]acetate (CID 1302878) is methyl 2-[4-[(4-acetamidophenyl)sulfamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(4-acetamidophenyl)sulfamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(4-acetamidophenyl)sulfamoyl]phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of methyl 2-[4-[(4-acetamidophenyl)sulfamoyl]phenoxy]acetate?
The InChIKey is KTWBNQWHIGEPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-12(20)18-13-3-5-14(6-4-13)19-26(22,23)16-9-7-15(8-10-16)25-11-17(21)24-2/h3-10,19H,11H2,1-2H3,(H,18,20).
What are the key properties of methyl 2-[4-[(4-acetamidophenyl)sulfamoyl]phenoxy]acetate?
methyl 2-[4-[(4-acetamidophenyl)sulfamoyl]phenoxy]acetate has a molecular weight of 378.41 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(4-acetamidophenyl)sulfamoyl]phenoxy]acetate is sourced from PubChem (CID 1302878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).