2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid

C12H18N2O4S — CID 115353272

IUPAC2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid
SMILESCCC(NCCc1ccc(S(N)(=O)=O)cc1)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-2-11(12(15)16)14-8-7-9-3-5-10(6-4-9)19(13,17)18/h3-6,11,14H,2,7-8H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyHQCGRWQUCXNZCI-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.33
Rot. Bonds7

About 2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid

2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid (PubChem CID 115353272) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid.

Molecular Properties

Compound Name2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid
PubChem CID115353272
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid
SMILESCCC(NCCc1ccc(S(N)(=O)=O)cc1)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-2-11(12(15)16)14-8-7-9-3-5-10(6-4-9)19(13,17)18/h3-6,11,14H,2,7-8H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyHQCGRWQUCXNZCI-UHFFFAOYSA-N
XLogP0.33
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(4-sulfamoylphenyl)ethylamino]butanoate
CID 115353271
4-[2-(benzhydrylamino)ethyl]benzenesulfonamide
CID 7998765
N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 108993382
1-ethyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 748226
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104684895
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 92509537
N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 4848816
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid?
The IUPAC name of 2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid (CID 115353272) is 2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid.
What is the SMILES notation for 2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid?
The canonical SMILES for 2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid is CCC(NCCc1ccc(S(N)(=O)=O)cc1)C(=O)O.
What is the InChIKey of 2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid?
The InChIKey is HQCGRWQUCXNZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-2-11(12(15)16)14-8-7-9-3-5-10(6-4-9)19(13,17)18/h3-6,11,14H,2,7-8H2,1H3,(H,15,16)(H2,13,17,18).
What are the key properties of 2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid?
2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid has a molecular weight of 286.35 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid is sourced from PubChem (CID 115353272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).