N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide

C25H28FN3O4S — CID 4826830

IUPACN-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C25H28FN3O4S/c26-21-6-1-2-7-22(21)29-34(32,33)20-5-3-4-19(11-20)28-23(30)15-27-24(31)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,16-18,29H,8-10,12-15H2,(H,27,31)(H,28,30)
InChIKeyDCFXRQHLBJKJJW-UHFFFAOYSA-N
MW485.58 g/mol
LogP3.90
Rot. Bonds7

About N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 4826830) has the molecular formula C25H28FN3O4S and a molecular weight of 485.58 g/mol. Its IUPAC name is N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID4826830
Molecular FormulaC25H28FN3O4S
Molecular Weight485.58 g/mol
Exact Mass485.18
IUPAC NameN-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C25H28FN3O4S/c26-21-6-1-2-7-22(21)29-34(32,33)20-5-3-4-19(11-20)28-23(30)15-27-24(31)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,16-18,29H,8-10,12-15H2,(H,27,31)(H,28,30)
InChIKeyDCFXRQHLBJKJJW-UHFFFAOYSA-N
XLogP3.90
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-3-[3-[(2-fluorophenyl)sulfamoyl]phenyl]urea
CID 4803235
N-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide
CID 8574726
N-[2-[4-(ethylsulfonylamino)-3-methylanilino]-2-oxoethyl]adamantane-1-carboxamide
CID 55948833
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 38044635
(5S,7R)-3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]adamantane-1-carboxamide
CID 9412401
N-[2-[2-(3-fluorophenoxy)anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 55980707
2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide
CID 55636206
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide
CID 46798897
N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 55406945
1-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 8614308
N-[2-(ethylamino)-2-oxoethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 18145874

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide (CID 4826830) is N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide is O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is DCFXRQHLBJKJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4S/c26-21-6-1-2-7-22(21)29-34(32,33)20-5-3-4-19(11-20)28-23(30)15-27-24(31)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,16-18,29H,8-10,12-15H2,(H,27,31)(H,28,30).
What are the key properties of N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 485.58 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 4826830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).