(2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid

C20H16N2O4S — CID 54073929

IUPAC(2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid
SMILESN#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)O)cc1
InChIInChI=1S/C20H16N2O4S/c21-13-15-7-5-14(6-8-15)11-19(20(23)24)22-27(25,26)18-10-9-16-3-1-2-4-17(16)12-18/h1-10,12,19,22H,11H2,(H,23,24)/t19-/m1/s1
InChIKeyMIJSJXMFBQJTSO-LJQANCHMSA-N
MW380.43 g/mol
LogP2.69
Rot. Bonds6

About (2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid

(2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid (PubChem CID 54073929) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is (2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid
PubChem CID54073929
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name(2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid
SMILESN#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)O)cc1
InChIInChI=1S/C20H16N2O4S/c21-13-15-7-5-14(6-8-15)11-19(20(23)24)22-27(25,26)18-10-9-16-3-1-2-4-17(16)12-18/h1-10,12,19,22H,11H2,(H,23,24)/t19-/m1/s1
InChIKeyMIJSJXMFBQJTSO-LJQANCHMSA-N
XLogP2.69
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(4-cyanophenyl)-2-[[(2S)-4-methyl-2-(naphthalen-2-ylsulfonylamino)pentanoyl]amino]propanoic acid
CID 67912476
(2R)-2-(benzenesulfonamido)-3-(4-cyanophenyl)propanoic acid
CID 1491108
2-[(4-cyanophenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)-3-oxopropanoic acid
CID 68507305
3-(4-cyanophenyl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)propanamide
CID 19608647
(2S)-3-(4-cyanophenyl)-N-cyclopentyl-N-ethyl-2-(naphthalen-2-ylsulfonylamino)propanamide
CID 54212480
1-[(2S)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-2-carboxylic acid
CID 67912511
(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride
CID 70154426
2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid
CID 151395385
(2S)-3-(4-cyanophenyl)-2-methyl-2-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 70246960
(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 54042088
2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 43827519
3-(3-cyanophenyl)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 10691192

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid?
The IUPAC name of (2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid (CID 54073929) is (2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid?
The canonical SMILES for (2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid is N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)O)cc1.
What is the InChIKey of (2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid?
The InChIKey is MIJSJXMFBQJTSO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H16N2O4S/c21-13-15-7-5-14(6-8-15)11-19(20(23)24)22-27(25,26)18-10-9-16-3-1-2-4-17(16)12-18/h1-10,12,19,22H,11H2,(H,23,24)/t19-/m1/s1.
What are the key properties of (2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid?
(2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid has a molecular weight of 380.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 54073929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).