3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid

C18H19NO4S — CID 166331895

IUPAC3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid
SMILESO=C(O)CC(NS(=O)(=O)C1CC1c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO4S/c20-18(21)12-16(14-9-5-2-6-10-14)19-24(22,23)17-11-15(17)13-7-3-1-4-8-13/h1-10,15-17,19H,11-12H2,(H,20,21)
InChIKeyJCCMGFHAVLMXGD-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.68
Rot. Bonds7

About 3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid

3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid (PubChem CID 166331895) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid
PubChem CID166331895
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid
SMILESO=C(O)CC(NS(=O)(=O)C1CC1c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO4S/c20-18(21)12-16(14-9-5-2-6-10-14)19-24(22,23)17-11-15(17)13-7-3-1-4-8-13/h1-10,15-17,19H,11-12H2,(H,20,21)
InChIKeyJCCMGFHAVLMXGD-UHFFFAOYSA-N
XLogP2.68
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid
CID 64552602
2-(2-phenylcyclopropyl)sulfonylacetic acid
CID 116516571
3-(methylsulfonylmethylsulfonylamino)-3-phenylpropanoic acid
CID 82839464
3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 166273738
3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid
CID 166331975
3-(tert-butylsulfamoylamino)-3-phenylpropanoic acid
CID 114805164
(3R)-3-(3-bromophenyl)-3-(cyclopropylsulfonylamino)propanoic acid
CID 146134249
(3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 726567
4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid
CID 105360745
(3R)-3-(benzylamino)-3-phenylpropanoic acid
CID 753607
(3S)-3-[[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 97310726
N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide
CID 103825699

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid (CID 166331895) is 3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid is O=C(O)CC(NS(=O)(=O)C1CC1c1ccccc1)c1ccccc1.
What is the InChIKey of 3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid?
The InChIKey is JCCMGFHAVLMXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c20-18(21)12-16(14-9-5-2-6-10-14)19-24(22,23)17-11-15(17)13-7-3-1-4-8-13/h1-10,15-17,19H,11-12H2,(H,20,21).
What are the key properties of 3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid?
3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid has a molecular weight of 345.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 166331895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).