methyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate

C13H20N2O4S — CID 115353271

IUPACmethyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate
SMILESCCC(NCCc1ccc(S(N)(=O)=O)cc1)C(=O)OC
InChIInChI=1S/C13H20N2O4S/c1-3-12(13(16)19-2)15-9-8-10-4-6-11(7-5-10)20(14,17)18/h4-7,12,15H,3,8-9H2,1-2H3,(H2,14,17,18)
InChIKeyFUYXYEPJUKZABU-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.42
Rot. Bonds7

About methyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate

methyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate (PubChem CID 115353271) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is methyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate
PubChem CID115353271
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Namemethyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate
SMILESCCC(NCCc1ccc(S(N)(=O)=O)cc1)C(=O)OC
InChIInChI=1S/C13H20N2O4S/c1-3-12(13(16)19-2)15-9-8-10-4-6-11(7-5-10)20(14,17)18/h4-7,12,15H,3,8-9H2,1-2H3,(H2,14,17,18)
InChIKeyFUYXYEPJUKZABU-UHFFFAOYSA-N
XLogP0.42
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid
CID 115353272
methyl 2-[2-(4-nitrophenyl)ethylamino]butanoate
CID 115353228
N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 108993382
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
1-N'-(2-methoxyethyl)-1-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108972706
4-[2-(benzhydrylamino)ethyl]benzenesulfonamide
CID 7998765
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
methyl 2-(2-phenylethylamino)hexanoate
CID 103868302
(2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 8740673
5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104684895
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108894482

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate?
The IUPAC name of methyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate (CID 115353271) is methyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate.
What is the SMILES notation for methyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate?
The canonical SMILES for methyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate is CCC(NCCc1ccc(S(N)(=O)=O)cc1)C(=O)OC.
What is the InChIKey of methyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate?
The InChIKey is FUYXYEPJUKZABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-12(13(16)19-2)15-9-8-10-4-6-11(7-5-10)20(14,17)18/h4-7,12,15H,3,8-9H2,1-2H3,(H2,14,17,18).
What are the key properties of methyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate?
methyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate has a molecular weight of 300.38 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate is sourced from PubChem (CID 115353271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).