3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid

C18H19NO4S — CID 166273738

IUPAC3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1ccccc1C1CC1)c1ccccc1
InChIInChI=1S/C18H19NO4S/c20-18(21)12-16(14-6-2-1-3-7-14)19-24(22,23)17-9-5-4-8-15(17)13-10-11-13/h1-9,13,16,19H,10-12H2,(H,20,21)
InChIKeySUBUWWDVBZINHJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.06
Rot. Bonds7

About 3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid

3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid (PubChem CID 166273738) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid
PubChem CID166273738
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1ccccc1C1CC1)c1ccccc1
InChIInChI=1S/C18H19NO4S/c20-18(21)12-16(14-6-2-1-3-7-14)19-24(22,23)17-9-5-4-8-15(17)13-10-11-13/h1-9,13,16,19H,10-12H2,(H,20,21)
InChIKeySUBUWWDVBZINHJ-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 726567
3-(cyclopropylsulfonylamino)-3-phenylpropanoic acid
CID 64552602
(3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid
CID 79978199
3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 139827869
(3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid
CID 79978313
3-(tert-butylsulfamoylamino)-3-phenylpropanoic acid
CID 114805164
3-phenyl-3-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid
CID 23002624
3-phenyl-3-(1H-pyrrol-3-ylsulfonylamino)propanoic acid
CID 43294270
3-(cyclohexylamino)-3-phenylpropanoic acid
CID 82931876
3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic acid
CID 5188493
3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 45439126
3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid
CID 102690630

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid?
The IUPAC name of 3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid (CID 166273738) is 3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid is O=C(O)CC(NS(=O)(=O)c1ccccc1C1CC1)c1ccccc1.
What is the InChIKey of 3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid?
The InChIKey is SUBUWWDVBZINHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c20-18(21)12-16(14-6-2-1-3-7-14)19-24(22,23)17-9-5-4-8-15(17)13-10-11-13/h1-9,13,16,19H,10-12H2,(H,20,21).
What are the key properties of 3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid?
3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid has a molecular weight of 345.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 166273738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).