methyl 2-[4-(ethylsulfonylamino)anilino]propanoate

C12H18N2O4S — CID 66171933

IUPACmethyl 2-[4-(ethylsulfonylamino)anilino]propanoate
SMILESCCS(=O)(=O)Nc1ccc(NC(C)C(=O)OC)cc1
InChIInChI=1S/C12H18N2O4S/c1-4-19(16,17)14-11-7-5-10(6-8-11)13-9(2)12(15)18-3/h5-9,13-14H,4H2,1-3H3
InChIKeyAZUUIPUEDGTFFN-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.42
Rot. Bonds6

About methyl 2-[4-(ethylsulfonylamino)anilino]propanoate

methyl 2-[4-(ethylsulfonylamino)anilino]propanoate (PubChem CID 66171933) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is methyl 2-[4-(ethylsulfonylamino)anilino]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(ethylsulfonylamino)anilino]propanoate
PubChem CID66171933
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namemethyl 2-[4-(ethylsulfonylamino)anilino]propanoate
SMILESCCS(=O)(=O)Nc1ccc(NC(C)C(=O)OC)cc1
InChIInChI=1S/C12H18N2O4S/c1-4-19(16,17)14-11-7-5-10(6-8-11)13-9(2)12(15)18-3/h5-9,13-14H,4H2,1-3H3
InChIKeyAZUUIPUEDGTFFN-UHFFFAOYSA-N
XLogP1.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-(4-methylanilino)propanoate
CID 6940435
methyl (2S)-2-(4-chloroanilino)propanoate
CID 18442844
2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide
CID 47065396
methyl 2-anilinopropanoate
CID 3417283
methyl (2S)-2-(4-fluoroanilino)propanoate;hydrochloride
CID 70079411
(2S)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-3-methylpentanamide
CID 61172500
methyl 2-(4-cyanoanilino)propanoate
CID 43515132
4-(ethylsulfonylamino)benzenecarbothioamide
CID 24696000
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
methyl (2S)-2-[4-(4-methoxyphenyl)anilino]propanoate;hydrochloride
CID 67578447
N-[4-(1-cyclopropylethylamino)phenyl]ethanesulfonamide
CID 54866252
2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 54867179

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(ethylsulfonylamino)anilino]propanoate?
The IUPAC name of methyl 2-[4-(ethylsulfonylamino)anilino]propanoate (CID 66171933) is methyl 2-[4-(ethylsulfonylamino)anilino]propanoate.
What is the SMILES notation for methyl 2-[4-(ethylsulfonylamino)anilino]propanoate?
The canonical SMILES for methyl 2-[4-(ethylsulfonylamino)anilino]propanoate is CCS(=O)(=O)Nc1ccc(NC(C)C(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-(ethylsulfonylamino)anilino]propanoate?
The InChIKey is AZUUIPUEDGTFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-4-19(16,17)14-11-7-5-10(6-8-11)13-9(2)12(15)18-3/h5-9,13-14H,4H2,1-3H3.
What are the key properties of methyl 2-[4-(ethylsulfonylamino)anilino]propanoate?
methyl 2-[4-(ethylsulfonylamino)anilino]propanoate has a molecular weight of 286.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(ethylsulfonylamino)anilino]propanoate is sourced from PubChem (CID 66171933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).