(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid

C19H17NO4S — CID 22216410

IUPAC(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C19H17NO4S/c21-19(22)17(13-14-7-2-1-3-8-14)20-25(23,24)18-12-6-10-15-9-4-5-11-16(15)18/h1-12,17,20H,13H2,(H,21,22)/t17-/m0/s1
InChIKeyNWHURKYFYGKGRT-KRWDZBQOSA-N
MW355.42 g/mol
LogP2.81
Rot. Bonds6

About (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid

(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid (PubChem CID 22216410) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid
PubChem CID22216410
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C19H17NO4S/c21-19(22)17(13-14-7-2-1-3-8-14)20-25(23,24)18-12-6-10-15-9-4-5-11-16(15)18/h1-12,17,20H,13H2,(H,21,22)/t17-/m0/s1
InChIKeyNWHURKYFYGKGRT-KRWDZBQOSA-N
XLogP2.81
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide
CID 35399383
3-(3-cyanophenyl)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 10691192
2-phenylethyl (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoate
CID 101179363
4-amino-2-(naphthalen-1-ylsulfonylamino)-4-oxobutanoic acid
CID 22476015
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
2-(naphthalen-1-ylsulfonylamino)octanoic acid
CID 102208300
(2R)-2-amino-3-[[(2R)-2-carboxy-2-(naphthalen-1-ylsulfonylamino)ethyl]disulfanyl]propanoic acid
CID 151966801
methyl 3-(4-chlorophenyl)-2-(naphthalen-1-ylsulfonylamino)propanoate
CID 3876135
(2S)-3-(4-hydroxyphenyl)-2-[[(2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanoyl]amino]propanoic acid
CID 71403301
N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide
CID 3701615
(2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid
CID 69341011

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid (CID 22216410) is (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid is O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid?
The InChIKey is NWHURKYFYGKGRT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17NO4S/c21-19(22)17(13-14-7-2-1-3-8-14)20-25(23,24)18-12-6-10-15-9-4-5-11-16(15)18/h1-12,17,20H,13H2,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid?
(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid has a molecular weight of 355.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 22216410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).