2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid

C20H24N2O4S — CID 122070489

IUPAC2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NS(=O)(=O)c2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C20H24N2O4S/c1-2-22(14-20(23)24)18-12-17(13-18)21-27(25,26)19-10-6-9-16(11-19)15-7-4-3-5-8-15/h3-11,17-18,21H,2,12-14H2,1H3,(H,23,24)
InChIKeyCNJCIURTRGAWIB-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.57
Rot. Bonds8

About 2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid (PubChem CID 122070489) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
PubChem CID122070489
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NS(=O)(=O)c2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C20H24N2O4S/c1-2-22(14-20(23)24)18-12-17(13-18)21-27(25,26)19-10-6-9-16(11-19)15-7-4-3-5-8-15/h3-11,17-18,21H,2,12-14H2,1H3,(H,23,24)
InChIKeyCNJCIURTRGAWIB-UHFFFAOYSA-N
XLogP2.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(1,3-benzodioxol-5-ylsulfonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122070358
2-[ethyl-[3-[[3-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclobutyl]amino]acetic acid
CID 122070515
2-[ethyl-[3-(2-methylsulfonylanilino)cyclobutyl]amino]acetic acid
CID 122062146
2-[[3-[(5-ethoxycarbonyl-1-methylpyrrol-3-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid
CID 122070401
2-[ethyl-[3-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclobutyl]amino]acetic acid
CID 122070476
2-[ethyl-[3-[(4-fluoro-1H-indol-3-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122070394
2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
CID 119206284
2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid
CID 122070459
2-[[3-[(2,5-dimethyl-3-nitrophenyl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid
CID 122070388
2-[cyclopropylmethyl-[3-[(4-ethoxyphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071739
2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122070372
2-[cyclopropylmethyl-[3-[(3-methyl-4-nitrophenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071861

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid (CID 122070489) is 2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NS(=O)(=O)c2cccc(-c3ccccc3)c2)C1.
What is the InChIKey of 2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid?
The InChIKey is CNJCIURTRGAWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-22(14-20(23)24)18-12-17(13-18)21-27(25,26)19-10-6-9-16(11-19)15-7-4-3-5-8-15/h3-11,17-18,21H,2,12-14H2,1H3,(H,23,24).
What are the key properties of 2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid has a molecular weight of 388.49 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122070489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).