[3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate

C24H28N2O5S — CID 24811561

IUPAC[3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1cccc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1
InChIInChI=1S/C24H28N2O5S/c25-32(28,29)31-22-3-1-2-20(11-22)26-23(27)15-30-21-6-4-19(5-7-21)24-12-16-8-17(13-24)10-18(9-16)14-24/h1-7,11,16-18H,8-10,12-15H2,(H,26,27)(H2,25,28,29)
InChIKeyWTPDKIZPQJVSEP-UHFFFAOYSA-N
MW456.56 g/mol
LogP3.75
Rot. Bonds7

About [3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate

[3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate (PubChem CID 24811561) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is [3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate.

Molecular Properties

Compound Name[3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate
PubChem CID24811561
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC Name[3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1cccc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1
InChIInChI=1S/C24H28N2O5S/c25-32(28,29)31-22-3-1-2-20(11-22)26-23(27)15-30-21-6-4-19(5-7-21)24-12-16-8-17(13-24)10-18(9-16)14-24/h1-7,11,16-18H,8-10,12-15H2,(H,26,27)(H2,25,28,29)
InChIKeyWTPDKIZPQJVSEP-UHFFFAOYSA-N
XLogP3.75
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide
CID 24811214
2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide
CID 4071679
2-[4-(1-adamantyl)phenoxy]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 24811559
2-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-5-chlorobenzoic acid
CID 66679797
N-[1-(1-adamantyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 5234660
2-(4-fluorophenoxy)-N-(3-hydroxyphenyl)acetamide
CID 6458581
[4-[3-(4-sulfamoyloxyphenyl)-1-adamantyl]phenyl] sulfamate
CID 122191570
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide
CID 34752593
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
methyl 2-[[2-[3-(1-adamantyl)phenoxy]acetyl]amino]-5-chlorobenzoate
CID 66679857
[2-[4-(1-adamantyl)anilino]-2-oxoethyl] 3-(2,5-dioxopyrrol-1-yl)benzoate
CID 126225047

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate?
The IUPAC name of [3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate (CID 24811561) is [3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate.
What is the SMILES notation for [3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate?
The canonical SMILES for [3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate is NS(=O)(=O)Oc1cccc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1.
What is the InChIKey of [3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate?
The InChIKey is WTPDKIZPQJVSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c25-32(28,29)31-22-3-1-2-20(11-22)26-23(27)15-30-21-6-4-19(5-7-21)24-12-16-8-17(13-24)10-18(9-16)14-24/h1-7,11,16-18H,8-10,12-15H2,(H,26,27)(H2,25,28,29).
What are the key properties of [3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate?
[3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate has a molecular weight of 456.56 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate is sourced from PubChem (CID 24811561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).