N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide

C19H23FN2O4S — CID 110411072

IUPACN-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
SMILESCOc1cccc(NS(=O)(=O)CC(C)C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C19H23FN2O4S/c1-14(19(23)21-11-10-15-6-3-4-9-18(15)20)13-27(24,25)22-16-7-5-8-17(12-16)26-2/h3-9,12,14,22H,10-11,13H2,1-2H3,(H,21,23)
InChIKeyLWGXUABUROGNMB-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.57
Rot. Bonds9

About N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide

N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide (PubChem CID 110411072) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
PubChem CID110411072
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
SMILESCOc1cccc(NS(=O)(=O)CC(C)C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C19H23FN2O4S/c1-14(19(23)21-11-10-15-6-3-4-9-18(15)20)13-27(24,25)22-16-7-5-8-17(12-16)26-2/h3-9,12,14,22H,10-11,13H2,1-2H3,(H,21,23)
InChIKeyLWGXUABUROGNMB-UHFFFAOYSA-N
XLogP2.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110428867
N-(2,4-difluorophenyl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110426759
1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047971
1-N-[2-(2-fluorophenyl)ethyl]-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108977400
3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide
CID 110610179
N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
CID 110409522
3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110631787
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108906014
N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110411787
N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 113155162
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide
CID 35613279
N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
CID 110415867

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide (CID 110411072) is N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide is COc1cccc(NS(=O)(=O)CC(C)C(=O)NCCc2ccccc2F)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide?
The InChIKey is LWGXUABUROGNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-14(19(23)21-11-10-15-6-3-4-9-18(15)20)13-27(24,25)22-16-7-5-8-17(12-16)26-2/h3-9,12,14,22H,10-11,13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide?
N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide has a molecular weight of 394.47 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide is sourced from PubChem (CID 110411072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).