naphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate

C20H18N2O5S — CID 8837154

IUPACnaphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate
SMILESNC(=O)CNS(=O)(=O)c1ccc(C(=O)OCc2cccc3ccccc23)cc1
InChIInChI=1S/C20H18N2O5S/c21-19(23)12-22-28(25,26)17-10-8-15(9-11-17)20(24)27-13-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,22H,12-13H2,(H2,21,23)
InChIKeyDPELHQGULGRRSD-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.96
Rot. Bonds7

About naphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate

naphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate (PubChem CID 8837154) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate
PubChem CID8837154
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC Namenaphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate
SMILESNC(=O)CNS(=O)(=O)c1ccc(C(=O)OCc2cccc3ccccc23)cc1
InChIInChI=1S/C20H18N2O5S/c21-19(23)12-22-28(25,26)17-10-8-15(9-11-17)20(24)27-13-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,22H,12-13H2,(H2,21,23)
InChIKeyDPELHQGULGRRSD-UHFFFAOYSA-N
XLogP1.96
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

naphthalen-1-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate
CID 4044191
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(2,6-dichlorophenyl)methyl 3-[(2-amino-2-oxoethyl)sulfamoyl]benzoate
CID 4852083
2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate
CID 8837159
naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 8936257
(2,3-difluorophenyl)methyl 4-(phenylsulfamoyl)benzoate
CID 18267958
naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 7906497
ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
CID 9342016
(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate
CID 7828149
S-[2-[4-(2-naphthalen-1-ylethylsulfamoyl)phenyl]-2-oxoethyl] ethanethioate
CID 11597106
2-[(4-hydrazinylphenyl)sulfonylamino]acetamide
CID 43545768
naphthalen-1-ylmethyl N-ethylcarbamate
CID 139990746

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate?
The IUPAC name of naphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate (CID 8837154) is naphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate.
What is the SMILES notation for naphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate?
The canonical SMILES for naphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate is NC(=O)CNS(=O)(=O)c1ccc(C(=O)OCc2cccc3ccccc23)cc1.
What is the InChIKey of naphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate?
The InChIKey is DPELHQGULGRRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c21-19(23)12-22-28(25,26)17-10-8-15(9-11-17)20(24)27-13-16-6-3-5-14-4-1-2-7-18(14)16/h1-11,22H,12-13H2,(H2,21,23).
What are the key properties of naphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate?
naphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate has a molecular weight of 398.44 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate is sourced from PubChem (CID 8837154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).