N-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide

C22H27FN2O5S — CID 47088062

IUPACN-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N(Cc2cccc(F)c2)CC2CCCO2)cc1
InChIInChI=1S/C22H27FN2O5S/c1-29-13-11-24-31(27,28)21-9-7-18(8-10-21)22(26)25(16-20-6-3-12-30-20)15-17-4-2-5-19(23)14-17/h2,4-5,7-10,14,20,24H,3,6,11-13,15-16H2,1H3
InChIKeyXFHYFQZHBWCPNM-UHFFFAOYSA-N
MW450.53 g/mol
LogP2.57
Rot. Bonds10

About N-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide

N-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 47088062) has the molecular formula C22H27FN2O5S and a molecular weight of 450.53 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID47088062
Molecular FormulaC22H27FN2O5S
Molecular Weight450.53 g/mol
Exact Mass450.16
IUPAC NameN-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N(Cc2cccc(F)c2)CC2CCCO2)cc1
InChIInChI=1S/C22H27FN2O5S/c1-29-13-11-24-31(27,28)21-9-7-18(8-10-21)22(26)25(16-20-6-3-12-30-20)15-17-4-2-5-19(23)14-17/h2,4-5,7-10,14,20,24H,3,6,11-13,15-16H2,1H3
InChIKeyXFHYFQZHBWCPNM-UHFFFAOYSA-N
XLogP2.57
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52528690
3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95050157
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71935038
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26343572
N-[(3-fluorophenyl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94364646
2-cyclohexylidene-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97011423
2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 99804168
N-[(3-fluorophenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 49338039
[5-[[(3-fluorobenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenyl] propane-2-sulfonate
CID 93301820
4-bromo-N-[(3-fluorophenyl)methyl]-5-methyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 49393069
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053469

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide (CID 47088062) is N-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)N(Cc2cccc(F)c2)CC2CCCO2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is XFHYFQZHBWCPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O5S/c1-29-13-11-24-31(27,28)21-9-7-18(8-10-21)22(26)25(16-20-6-3-12-30-20)15-17-4-2-5-19(23)14-17/h2,4-5,7-10,14,20,24H,3,6,11-13,15-16H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide?
N-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 450.53 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 47088062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).