[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate

C26H30N2O5S — CID 4526537

IUPAC[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C26H30N2O5S/c1-28(22-7-3-2-4-8-22)34(31,32)23-9-5-6-21(13-23)27-24(29)17-33-25(30)26-14-18-10-19(15-26)12-20(11-18)16-26/h2-9,13,18-20H,10-12,14-17H2,1H3,(H,27,29)
InChIKeyIFQMNNDJIGEFFD-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.21
Rot. Bonds7

About [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate

[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate (PubChem CID 4526537) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate.

Molecular Properties

Compound Name[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate
PubChem CID4526537
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C26H30N2O5S/c1-28(22-7-3-2-4-8-22)34(31,32)23-9-5-6-21(13-23)27-24(29)17-33-25(30)26-14-18-10-19(15-26)12-20(11-18)16-26/h2-9,13,18-20H,10-12,14-17H2,1H3,(H,27,29)
InChIKeyIFQMNNDJIGEFFD-UHFFFAOYSA-N
XLogP4.21
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate
CID 7851108
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-chloroadamantane-1-carboxylate
CID 4694012
[2-(3-methylanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 4828855
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate
CID 8673240
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 3-fluorobenzoate
CID 18777850
[2-(3-methylsulfanylanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 5056388
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] adamantane-1-carboxylate
CID 4307596
2-(2-ethoxyphenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 30601573
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8930825
2-(4-fluorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 42989226
2-(3-fluorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 26896390

Frequently Asked Questions

What is the IUPAC name of [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate?
The IUPAC name of [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate (CID 4526537) is [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate.
What is the SMILES notation for [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate?
The canonical SMILES for [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate?
The InChIKey is IFQMNNDJIGEFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-28(22-7-3-2-4-8-22)34(31,32)23-9-5-6-21(13-23)27-24(29)17-33-25(30)26-14-18-10-19(15-26)12-20(11-18)16-26/h2-9,13,18-20H,10-12,14-17H2,1H3,(H,27,29).
What are the key properties of [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate?
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate has a molecular weight of 482.60 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate is sourced from PubChem (CID 4526537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).