[2-[acetyl(naphthalen-2-ylsulfonyl)amino]phenyl] acetate

C20H17NO5S — CID 1381616

IUPAC[2-[acetyl(naphthalen-2-ylsulfonyl)amino]phenyl] acetate
SMILESCC(=O)Oc1ccccc1N(C(C)=O)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO5S/c1-14(22)21(19-9-5-6-10-20(19)26-15(2)23)27(24,25)18-12-11-16-7-3-4-8-17(16)13-18/h3-13H,1-2H3
InChIKeyQADYVQDJVWJEDY-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.51
Rot. Bonds4

About [2-[acetyl(naphthalen-2-ylsulfonyl)amino]phenyl] acetate

[2-[acetyl(naphthalen-2-ylsulfonyl)amino]phenyl] acetate (PubChem CID 1381616) has the molecular formula C20H17NO5S and a molecular weight of 383.43 g/mol. Its IUPAC name is [2-[acetyl(naphthalen-2-ylsulfonyl)amino]phenyl] acetate.

Molecular Properties

Compound Name[2-[acetyl(naphthalen-2-ylsulfonyl)amino]phenyl] acetate
PubChem CID1381616
Molecular FormulaC20H17NO5S
Molecular Weight383.43 g/mol
Exact Mass383.08
IUPAC Name[2-[acetyl(naphthalen-2-ylsulfonyl)amino]phenyl] acetate
SMILESCC(=O)Oc1ccccc1N(C(C)=O)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO5S/c1-14(22)21(19-9-5-6-10-20(19)26-15(2)23)27(24,25)18-12-11-16-7-3-4-8-17(16)13-18/h3-13H,1-2H3
InChIKeyQADYVQDJVWJEDY-UHFFFAOYSA-N
XLogP3.51
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

Acetic acid 4-[acetyl-(naphthalene-2-sulfonyl)-amino]-phenyl ester
CID 1098523
[4-(N-(4-methylphenyl)sulfonylanilino)phenyl] acetate
CID 2302739
[2-(Cyclopentylamino)-2-oxoethyl] 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetate
CID 3253630
4-{Acetyl[(2,4-dimethylphenyl)sulfonyl]amino}-1-naphthyl acetate
CID 992521
N-isobutyryl-N-(4-methoxyphenyl)-2-naphthalenesulfonamide
CID 993464
Acetic acid [2-[acetyl-(4-methylphenyl)sulfonylamino]phenyl] ester
CID 284329
Ebna1-IN-SC7
CID 1014327
Acetic acid 4-(acetyl-benzenesulfonyl-amino)-naphthalen-1-yl ester
CID 1098513
4-{Acetyl[(4-methylphenyl)sulfonyl]amino}-1-naphthyl acetate
CID 1183802
N-(2-methoxyethyl)-2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 2381602
N-(2-methoxyphenyl)-2-[2-(2-naphthylsulfonyl)hydrazino]-2-oxoacetamide
CID 3136221
2-[4-(N-methylnaphthalene-2-sulfonamido)phenoxy]acetic acid
CID 2385983

Frequently Asked Questions

What is the IUPAC name of [2-[acetyl(naphthalen-2-ylsulfonyl)amino]phenyl] acetate?
The IUPAC name of [2-[acetyl(naphthalen-2-ylsulfonyl)amino]phenyl] acetate (CID 1381616) is [2-[acetyl(naphthalen-2-ylsulfonyl)amino]phenyl] acetate.
What is the SMILES notation for [2-[acetyl(naphthalen-2-ylsulfonyl)amino]phenyl] acetate?
The canonical SMILES for [2-[acetyl(naphthalen-2-ylsulfonyl)amino]phenyl] acetate is CC(=O)Oc1ccccc1N(C(C)=O)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of [2-[acetyl(naphthalen-2-ylsulfonyl)amino]phenyl] acetate?
The InChIKey is QADYVQDJVWJEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S/c1-14(22)21(19-9-5-6-10-20(19)26-15(2)23)27(24,25)18-12-11-16-7-3-4-8-17(16)13-18/h3-13H,1-2H3.
What are the key properties of [2-[acetyl(naphthalen-2-ylsulfonyl)amino]phenyl] acetate?
[2-[acetyl(naphthalen-2-ylsulfonyl)amino]phenyl] acetate has a molecular weight of 383.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[acetyl(naphthalen-2-ylsulfonyl)amino]phenyl] acetate is sourced from PubChem (CID 1381616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).