2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate

C19H15N2O5S- — CID 7042185

IUPAC2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate
SMILESO=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H16N2O5S/c22-18(23)12-20-19(24)14-5-8-16(9-6-14)21-27(25,26)17-10-7-13-3-1-2-4-15(13)11-17/h1-11,21H,12H2,(H,20,24)(H,22,23)/p-1
InChIKeyJNCVVWSWKCPTRB-UHFFFAOYSA-M
MW383.41 g/mol
LogP1.12
Rot. Bonds6

About 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate

2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate (PubChem CID 7042185) has the molecular formula C19H15N2O5S- and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate.

Molecular Properties

Compound Name2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate
PubChem CID7042185
Molecular FormulaC19H15N2O5S-
Molecular Weight383.41 g/mol
Exact Mass383.07
IUPAC Name2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate
SMILESO=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H16N2O5S/c22-18(23)12-20-19(24)14-5-8-16(9-6-14)21-27(25,26)17-10-7-13-3-1-2-4-15(13)11-17/h1-11,21H,12H2,(H,20,24)(H,22,23)/p-1
InChIKeyJNCVVWSWKCPTRB-UHFFFAOYSA-M
XLogP1.12
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 34837601
N-hydroxy-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 86231375
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 18435536
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620
N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625
2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid
CID 45307830
4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide
CID 55948759
N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18928951
N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide
CID 74014271

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate?
The IUPAC name of 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate (CID 7042185) is 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate.
What is the SMILES notation for 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate?
The canonical SMILES for 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate is O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate?
The InChIKey is JNCVVWSWKCPTRB-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16N2O5S/c22-18(23)12-20-19(24)14-5-8-16(9-6-14)21-27(25,26)17-10-7-13-3-1-2-4-15(13)11-17/h1-11,21H,12H2,(H,20,24)(H,22,23)/p-1.
What are the key properties of 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate?
2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate has a molecular weight of 383.41 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetate is sourced from PubChem (CID 7042185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).