2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid

C20H19NO4S — CID 19703222

IUPAC2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid
SMILESCN(C(Cc1ccccc1)C(=O)O)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19NO4S/c1-21(19(20(22)23)13-15-7-3-2-4-8-15)26(24,25)18-12-11-16-9-5-6-10-17(16)14-18/h2-12,14,19H,13H2,1H3,(H,22,23)
InChIKeyLSVFUEBLCRKLFL-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.16
Rot. Bonds6

About 2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid

2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid (PubChem CID 19703222) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid
PubChem CID19703222
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid
SMILESCN(C(Cc1ccccc1)C(=O)O)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19NO4S/c1-21(19(20(22)23)13-15-7-3-2-4-8-15)26(24,25)18-12-11-16-9-5-6-10-17(16)14-18/h2-12,14,19H,13H2,1H3,(H,22,23)
InChIKeyLSVFUEBLCRKLFL-UHFFFAOYSA-N
XLogP3.16
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-chlorophenyl)sulfonyl-methylamino]-3-phenylpropanoic acid
CID 125045124
(2R)-2-[benzenesulfonyl(methyl)amino]-3-(4-iodophenyl)propanoic acid
CID 125045134
2-[benzenesulfonyl(methyl)amino]-3-(3-bromophenyl)propanoic acid
CID 133241622
(2S)-2-[(4-chlorophenyl)sulfonyl-methylamino]-3-(4-phenoxyphenyl)propanoic acid
CID 100557158
3-(3,5-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]propanoic acid
CID 133241584
(2R)-2-[benzenesulfonyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 125045170
(2S)-2-[(4-chlorophenyl)sulfonyl-methylamino]-3-(4-ethylphenyl)propanoic acid
CID 100555513
N-benzyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide
CID 24609811
2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 150245391
2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one
CID 13379507
(2R)-2-[(4-chlorophenyl)sulfonyl-methylamino]-3-(4-ethoxyphenyl)propanoic acid
CID 100557107
(2S)-2-[[(2S)-2-[methyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 69493089

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid (CID 19703222) is 2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid is CN(C(Cc1ccccc1)C(=O)O)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid?
The InChIKey is LSVFUEBLCRKLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-21(19(20(22)23)13-15-7-3-2-4-8-15)26(24,25)18-12-11-16-9-5-6-10-17(16)14-18/h2-12,14,19H,13H2,1H3,(H,22,23).
What are the key properties of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid?
2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid has a molecular weight of 369.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 19703222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).