3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide

C20H21FN4O3S — CID 37281759

IUPAC3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)c1
InChIInChI=1S/C20H21FN4O3S/c1-3-23-29(27,28)17-9-5-7-15(13-17)20(26)24-18(19-22-10-11-25(19)2)14-6-4-8-16(21)12-14/h4-13,18,23H,3H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyOUPAYFAHMXPHFX-SFHVURJKSA-N
MW416.48 g/mol
LogP2.38
Rot. Bonds7

About 3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide

3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 37281759) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID37281759
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC Name3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)c1
InChIInChI=1S/C20H21FN4O3S/c1-3-23-29(27,28)17-9-5-7-15(13-17)20(26)24-18(19-22-10-11-25(19)2)14-6-4-8-16(21)12-14/h4-13,18,23H,3H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyOUPAYFAHMXPHFX-SFHVURJKSA-N
XLogP2.38
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 31502802
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide
CID 40821023
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitrobenzamide
CID 40939581
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47014692
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 31503143
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 46698449
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27900176
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 25341523
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 46512947
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 24597988
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 31359845
3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 55461455

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide (CID 37281759) is 3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide is CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is OUPAYFAHMXPHFX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c1-3-23-29(27,28)17-9-5-7-15(13-17)20(26)24-18(19-22-10-11-25(19)2)14-6-4-8-16(21)12-14/h4-13,18,23H,3H2,1-2H3,(H,24,26)/t18-/m0/s1.
What are the key properties of 3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 416.48 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 37281759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).