[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] acetate

C26H25NO4S — CID 67643985

IUPAC[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] acetate
SMILESCC(=O)Oc1cccc2c1CCCC2NS(=O)(=O)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO4S/c1-19(28)31-26-17-9-14-22-23(26)15-8-16-25(22)27-32(29,30)18-24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,9-14,17-18,25,27H,8,15-16H2,1H3
InChIKeyNWFVCWFYLFQEBV-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.00
Rot. Bonds6

About [5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] acetate

[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] acetate (PubChem CID 67643985) has the molecular formula C26H25NO4S and a molecular weight of 447.56 g/mol. Its IUPAC name is [5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] acetate.

Molecular Properties

Compound Name[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] acetate
PubChem CID67643985
Molecular FormulaC26H25NO4S
Molecular Weight447.56 g/mol
Exact Mass447.15
IUPAC Name[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] acetate
SMILESCC(=O)Oc1cccc2c1CCCC2NS(=O)(=O)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO4S/c1-19(28)31-26-17-9-14-22-23(26)15-8-16-25(22)27-32(29,30)18-24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,9-14,17-18,25,27H,8,15-16H2,1H3
InChIKeyNWFVCWFYLFQEBV-UHFFFAOYSA-N
XLogP5.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 19694577
(2-cyclobutylphenyl) acetate
CID 176943294
2-[[5-[[4-(4-methylphenyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 66633385
2-[[(5R)-5-[(3,5-ditert-butylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 46174491
2-[5-acetyloxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 90980690
2-[[5-[[4-(3-methylsulfinylphenyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 75075648
2-[[5-[[4-(3-methyl-2-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 44815333
5-(methoxymethoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455743
2-[[5-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 44814632
N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456122
tert-butyl 2-[[5-[(4-bromophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetate
CID 59192605
2-[[5-[[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 44816535

Frequently Asked Questions

What is the IUPAC name of [5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] acetate?
The IUPAC name of [5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] acetate (CID 67643985) is [5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] acetate.
What is the SMILES notation for [5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] acetate?
The canonical SMILES for [5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] acetate is CC(=O)Oc1cccc2c1CCCC2NS(=O)(=O)C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of [5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] acetate?
The InChIKey is NWFVCWFYLFQEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4S/c1-19(28)31-26-17-9-14-22-23(26)15-8-16-25(22)27-32(29,30)18-24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,9-14,17-18,25,27H,8,15-16H2,1H3.
What are the key properties of [5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] acetate?
[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] acetate has a molecular weight of 447.56 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] acetate is sourced from PubChem (CID 67643985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).