methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate

C19H20N2O6S — CID 55871864

IUPACmethyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1
InChIInChI=1S/C19H20N2O6S/c1-26-18(22)12-27-16-6-2-4-13(10-16)19(23)20-15-5-3-7-17(11-15)28(24,25)21-14-8-9-14/h2-7,10-11,14,21H,8-9,12H2,1H3,(H,20,23)
InChIKeyKWXKJCHPFUWYCW-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.93
Rot. Bonds8

About methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate

methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate (PubChem CID 55871864) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate
PubChem CID55871864
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Namemethyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1
InChIInChI=1S/C19H20N2O6S/c1-26-18(22)12-27-16-6-2-4-13(10-16)19(23)20-15-5-3-7-17(11-15)28(24,25)21-14-8-9-14/h2-7,10-11,14,21H,8-9,12H2,1H3,(H,20,23)
InChIKeyKWXKJCHPFUWYCW-UHFFFAOYSA-N
XLogP1.93
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]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

N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide
CID 39499806
methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate
CID 46405073
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037721
3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 30858539
3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide
CID 30860784
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769
N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
CID 24646340
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate (CID 55871864) is methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate is COC(=O)COc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1.
What is the InChIKey of methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate?
The InChIKey is KWXKJCHPFUWYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-26-18(22)12-27-16-6-2-4-13(10-16)19(23)20-15-5-3-7-17(11-15)28(24,25)21-14-8-9-14/h2-7,10-11,14,21H,8-9,12H2,1H3,(H,20,23).
What are the key properties of methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate?
methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate has a molecular weight of 404.44 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate is sourced from PubChem (CID 55871864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).