N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide

C20H24FN3O4S — CID 55802134

IUPACN-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FN3O4S/c1-3-22-20(26)15-6-10-17(11-7-15)23-19(25)5-4-14-24(2)29(27,28)18-12-8-16(21)9-13-18/h6-13H,3-5,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyXULOLBVQZMQAQB-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.61
Rot. Bonds9

About N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide

N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide (PubChem CID 55802134) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide
PubChem CID55802134
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC NameN-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FN3O4S/c1-3-22-20(26)15-6-10-17(11-7-15)23-19(25)5-4-14-24(2)29(27,28)18-12-8-16(21)9-13-18/h6-13H,3-5,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyXULOLBVQZMQAQB-UHFFFAOYSA-N
XLogP2.61
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
methyl 2-[4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]phenoxy]acetate
CID 55708813
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(4-fluorophenyl)acetamide
CID 24616569
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 27901858
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
N-[3-[4-[butyl(methyl)sulfamoyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 30669790
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 37121741
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide
CID 119430306
N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30854882
N-(3-aminopropyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide;hydrochloride
CID 119405561

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide?
The IUPAC name of N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide (CID 55802134) is N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide.
What is the SMILES notation for N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide?
The canonical SMILES for N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide is CCNC(=O)c1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide?
The InChIKey is XULOLBVQZMQAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-3-22-20(26)15-6-10-17(11-7-15)23-19(25)5-4-14-24(2)29(27,28)18-12-8-16(21)9-13-18/h6-13H,3-5,14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide?
N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide has a molecular weight of 421.49 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide is sourced from PubChem (CID 55802134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).