methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate

C12H18N2O5S — CID 62004727

IUPACmethyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate
SMILESCCNS(=O)(=O)c1ccccc1NC(CO)C(=O)OC
InChIInChI=1S/C12H18N2O5S/c1-3-13-20(17,18)11-7-5-4-6-9(11)14-10(8-15)12(16)19-2/h4-7,10,13-15H,3,8H2,1-2H3
InChIKeyHQOUDFKXKAVDBV-UHFFFAOYSA-N
MW302.35 g/mol
LogP-0.07
Rot. Bonds7

About methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate

methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate (PubChem CID 62004727) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate
PubChem CID62004727
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Namemethyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate
SMILESCCNS(=O)(=O)c1ccccc1NC(CO)C(=O)OC
InChIInChI=1S/C12H18N2O5S/c1-3-13-20(17,18)11-7-5-4-6-9(11)14-10(8-15)12(16)19-2/h4-7,10,13-15H,3,8H2,1-2H3
InChIKeyHQOUDFKXKAVDBV-UHFFFAOYSA-N
XLogP-0.07
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(ethylsulfamoyl)anilino]propanoic acid
CID 43468803
methyl 2-(2-methylsulfonylanilino)butanoate
CID 113292467
methyl 2-(2-ethylsulfonylanilino)butanoate
CID 115352923
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246
2-hydroxyethyl N-[2-(ethylsulfamoyl)phenyl]carbamate
CID 79345271
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid
CID 81083785
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide
CID 106186569
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
1-amino-N-[2-(ethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 60853345
(2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide
CID 107568567
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate (CID 62004727) is methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate is CCNS(=O)(=O)c1ccccc1NC(CO)C(=O)OC.
What is the InChIKey of methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate?
The InChIKey is HQOUDFKXKAVDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-3-13-20(17,18)11-7-5-4-6-9(11)14-10(8-15)12(16)19-2/h4-7,10,13-15H,3,8H2,1-2H3.
What are the key properties of methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate?
methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate has a molecular weight of 302.35 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate is sourced from PubChem (CID 62004727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).