N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide

C20H23FN2O4S — CID 18115747

IUPACN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N(CC)Cc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-4-12-22-28(25,26)17-9-7-16(8-10-17)20(24)23(5-2)14-15-6-11-19(27-3)18(21)13-15/h4,6-11,13,22H,1,5,12,14H2,2-3H3
InChIKeyRRYGIVZGIAOSDF-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.96
Rot. Bonds9

About N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide

N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 18115747) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID18115747
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N(CC)Cc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-4-12-22-28(25,26)17-9-7-16(8-10-17)20(24)23(5-2)14-15-6-11-19(27-3)18(21)13-15/h4,6-11,13,22H,1,5,12,14H2,2-3H3
InChIKeyRRYGIVZGIAOSDF-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512454
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 18115738
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(propylsulfonylamino)benzamide
CID 25331324
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 60652216
N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide
CID 8820023
4-chloro-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-nitrobenzamide
CID 18192640
N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 25317177
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(methylamino)propanamide
CID 55096948
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 31916876
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43016049
3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 55438061
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide (CID 18115747) is N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)N(CC)Cc2ccc(OC)c(F)c2)cc1.
What is the InChIKey of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is RRYGIVZGIAOSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-4-12-22-28(25,26)17-9-7-16(8-10-17)20(24)23(5-2)14-15-6-11-19(27-3)18(21)13-15/h4,6-11,13,22H,1,5,12,14H2,2-3H3.
What are the key properties of N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 406.48 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 18115747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).