2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid

C20H19NO5S — CID 100535124

IUPAC2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
SMILESCCOc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H19NO5S/c1-2-26-18-9-5-8-17(13-18)21(14-20(22)23)27(24,25)19-11-10-15-6-3-4-7-16(15)12-19/h3-13H,2,14H2,1H3,(H,22,23)
InChIKeyDTYSEMVVIHLKAZ-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.52
Rot. Bonds7

About 2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid

2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid (PubChem CID 100535124) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
PubChem CID100535124
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
SMILESCCOc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H19NO5S/c1-2-26-18-9-5-8-17(13-18)21(14-20(22)23)27(24,25)19-11-10-15-6-3-4-7-16(15)12-19/h3-13H,2,14H2,1H3,(H,22,23)
InChIKeyDTYSEMVVIHLKAZ-UHFFFAOYSA-N
XLogP3.52
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide
CID 100535072
2-[N-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid
CID 100531866
2-[N-(benzenesulfonyl)-3-prop-2-enoxyanilino]acetic acid
CID 50894797
ethyl 2-(N-naphthalen-2-ylsulfonyl-3-nitroanilino)acetate
CID 100533956
2-(3-ethoxy-N-methylsulfonylanilino)-N-methyl-N-phenylacetamide
CID 30272380
2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100533072
ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100531336
2-(N-(3-nitrophenyl)sulfonyl-3-prop-2-enoxyanilino)acetic acid
CID 50894463
2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide
CID 38869062
2-[3-[benzenesulfonyl(benzyl)amino]phenoxy]acetic acid
CID 54481093
methyl 2-(3,4-dimethyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100530643

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid?
The IUPAC name of 2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid (CID 100535124) is 2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid.
What is the SMILES notation for 2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid?
The canonical SMILES for 2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid is CCOc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid?
The InChIKey is DTYSEMVVIHLKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-2-26-18-9-5-8-17(13-18)21(14-20(22)23)27(24,25)19-11-10-15-6-3-4-7-16(15)12-19/h3-13H,2,14H2,1H3,(H,22,23).
What are the key properties of 2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid?
2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid has a molecular weight of 385.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid is sourced from PubChem (CID 100535124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).