methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate

C19H17NO4S — CID 3820681

IUPACmethyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate
SMILESCOC(=O)C(NS(=O)(=O)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H17NO4S/c1-24-19(21)18(15-9-3-2-4-10-15)20-25(22,23)17-13-7-11-14-8-5-6-12-16(14)17/h2-13,18,20H,1H3
InChIKeyHVCIXGLJCQGBMP-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.03
Rot. Bonds5

About methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate

methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate (PubChem CID 3820681) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate
PubChem CID3820681
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Namemethyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate
SMILESCOC(=O)C(NS(=O)(=O)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H17NO4S/c1-24-19(21)18(15-9-3-2-4-10-15)20-25(22,23)17-13-7-11-14-8-5-6-12-16(14)17/h2-13,18,20H,1H3
InChIKeyHVCIXGLJCQGBMP-UHFFFAOYSA-N
XLogP3.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
CID 74225728
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
methyl 3-(4-chlorophenyl)-2-(naphthalen-1-ylsulfonylamino)propanoate
CID 3876135
N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide
CID 35399383
(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 22216410
N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide
CID 3701615
methyl (2S)-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-2-phenylacetate
CID 102431537
4-amino-2-(naphthalen-1-ylsulfonylamino)-4-oxobutanoic acid
CID 22476015
N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 3805772
2-phenylethyl (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoate
CID 101179363
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489

Frequently Asked Questions

What is the IUPAC name of methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate (CID 3820681) is methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate is COC(=O)C(NS(=O)(=O)c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate?
The InChIKey is HVCIXGLJCQGBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-24-19(21)18(15-9-3-2-4-10-15)20-25(22,23)17-13-7-11-14-8-5-6-12-16(14)17/h2-13,18,20H,1H3.
What are the key properties of methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate?
methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate has a molecular weight of 355.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate is sourced from PubChem (CID 3820681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).