methyl 3-(2-phenylethylsulfamoylamino)propanoate

C12H18N2O4S — CID 127035857

IUPACmethyl 3-(2-phenylethylsulfamoylamino)propanoate
SMILESCOC(=O)CCNS(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C12H18N2O4S/c1-18-12(15)8-10-14-19(16,17)13-9-7-11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3
InChIKeyQVILVXVEGYBKCE-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.22
Rot. Bonds8

About methyl 3-(2-phenylethylsulfamoylamino)propanoate

methyl 3-(2-phenylethylsulfamoylamino)propanoate (PubChem CID 127035857) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is methyl 3-(2-phenylethylsulfamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-phenylethylsulfamoylamino)propanoate
PubChem CID127035857
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namemethyl 3-(2-phenylethylsulfamoylamino)propanoate
SMILESCOC(=O)CCNS(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C12H18N2O4S/c1-18-12(15)8-10-14-19(16,17)13-9-7-11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3
InChIKeyQVILVXVEGYBKCE-UHFFFAOYSA-N
XLogP0.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 121221492
acetylene;methoxymethane;methyl 3-phenylpropanoate
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CID 18779052
methyl 3-[(2-aminophenyl)sulfonylamino]propanoate
CID 43665938
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639551
methyl 11-(4-phenylbutylamino)undecanoate
CID 167433431
methyl 3-[methyl(2-phenylethylsulfonyl)amino]propanoate
CID 54942207
methyl 3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanoate
CID 60715884
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate
CID 7913064

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-phenylethylsulfamoylamino)propanoate?
The IUPAC name of methyl 3-(2-phenylethylsulfamoylamino)propanoate (CID 127035857) is methyl 3-(2-phenylethylsulfamoylamino)propanoate.
What is the SMILES notation for methyl 3-(2-phenylethylsulfamoylamino)propanoate?
The canonical SMILES for methyl 3-(2-phenylethylsulfamoylamino)propanoate is COC(=O)CCNS(=O)(=O)NCCc1ccccc1.
What is the InChIKey of methyl 3-(2-phenylethylsulfamoylamino)propanoate?
The InChIKey is QVILVXVEGYBKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-18-12(15)8-10-14-19(16,17)13-9-7-11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3.
What are the key properties of methyl 3-(2-phenylethylsulfamoylamino)propanoate?
methyl 3-(2-phenylethylsulfamoylamino)propanoate has a molecular weight of 286.35 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-phenylethylsulfamoylamino)propanoate is sourced from PubChem (CID 127035857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).