(2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid

C18H21NO5S — CID 114286000

IUPAC(2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid
SMILESO=C(O)[C@H](NS(=O)(=O)CCCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO5S/c20-18(21)17(16-10-5-2-6-11-16)19-25(22,23)13-7-12-24-14-15-8-3-1-4-9-15/h1-6,8-11,17,19H,7,12-14H2,(H,20,21)/t17-/m1/s1
InChIKeyLQSZUTKRMIPOGZ-QGZVFWFLSA-N
MW363.44 g/mol
LogP2.34
Rot. Bonds10

About (2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid

(2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid (PubChem CID 114286000) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid
PubChem CID114286000
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name(2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid
SMILESO=C(O)[C@H](NS(=O)(=O)CCCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO5S/c20-18(21)17(16-10-5-2-6-11-16)19-25(22,23)13-7-12-24-14-15-8-3-1-4-9-15/h1-6,8-11,17,19H,7,12-14H2,(H,20,21)/t17-/m1/s1
InChIKeyLQSZUTKRMIPOGZ-QGZVFWFLSA-N
XLogP2.34
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(butylsulfonylamino)-2-phenylacetic acid
CID 16775375
(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid
CID 103862430
3-methyl-2-(2-phenylmethoxyethylsulfonylamino)butanoic acid
CID 122067769
(2S)-2-(2-methylsulfonylethylsulfonylamino)-2-phenylacetic acid
CID 103862434
(2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid
CID 122067686
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-2-phenylacetic acid
CID 103862426
[5-tert-butyl-2-methoxy-3-(3-phenylmethoxypropylsulfonylamino)phenyl]carbamic acid
CID 121255533
4-phenylmethoxybutane-1-sulfonate
CID 59763065
(2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid
CID 122069426
sodium 4-phenylmethoxybutane-1-sulfonate
CID 87669395
dimethyl 2-(3-phenylmethoxypropyl)propanedioate
CID 170992106
(2R)-2-(2-methylprop-2-enylsulfonylamino)-2-phenylacetic acid
CID 122069455

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid?
The IUPAC name of (2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid (CID 114286000) is (2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid is O=C(O)[C@H](NS(=O)(=O)CCCOCc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid?
The InChIKey is LQSZUTKRMIPOGZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO5S/c20-18(21)17(16-10-5-2-6-11-16)19-25(22,23)13-7-12-24-14-15-8-3-1-4-9-15/h1-6,8-11,17,19H,7,12-14H2,(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid?
(2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid has a molecular weight of 363.44 g/mol, XLogP of 2.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid is sourced from PubChem (CID 114286000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).