2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate

C20H18NO5S- — CID 5046040

IUPAC2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C20H19NO5S/c1-2-26-18-11-12-19(17-6-4-3-5-16(17)18)27(24,25)21-15-9-7-14(8-10-15)13-20(22)23/h3-12,21H,2,13H2,1H3,(H,22,23)/p-1
InChIKeyUHYZYQSYSRZDHK-UHFFFAOYSA-M
MW384.43 g/mol
LogP2.33
Rot. Bonds7

About 2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate

2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate (PubChem CID 5046040) has the molecular formula C20H18NO5S- and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate.

Molecular Properties

Compound Name2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate
PubChem CID5046040
Molecular FormulaC20H18NO5S-
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C20H19NO5S/c1-2-26-18-11-12-19(17-6-4-3-5-16(17)18)27(24,25)21-15-9-7-14(8-10-15)13-20(22)23/h3-12,21H,2,13H2,1H3,(H,22,23)/p-1
InChIKeyUHYZYQSYSRZDHK-UHFFFAOYSA-M
XLogP2.33
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid
CID 155532593
N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide
CID 56573661
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetate
CID 7042231
sodium;4-ethoxynaphthalene-1-sulfonic acid;hydride
CID 173109617
4-[(4-ethoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 39845076
N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide
CID 60579353
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
N-(4-chlorophenyl)-4-methoxynaphthalene-1-sulfonamide
CID 51702411
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate?
The IUPAC name of 2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate (CID 5046040) is 2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate.
What is the SMILES notation for 2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate?
The canonical SMILES for 2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate is CCOc1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c2ccccc12.
What is the InChIKey of 2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate?
The InChIKey is UHYZYQSYSRZDHK-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19NO5S/c1-2-26-18-11-12-19(17-6-4-3-5-16(17)18)27(24,25)21-15-9-7-14(8-10-15)13-20(22)23/h3-12,21H,2,13H2,1H3,(H,22,23)/p-1.
What are the key properties of 2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate?
2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate has a molecular weight of 384.43 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate is sourced from PubChem (CID 5046040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).