N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide

C25H27FN2O3S — CID 16600799

IUPACN-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCCc1ccc(C(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c2cccc(F)c2)cc1
InChIInChI=1S/C25H27FN2O3S/c1-4-18-8-10-19(11-9-18)24(21-6-5-7-22(26)16-21)27-25(29)20-12-14-23(15-13-20)32(30,31)28-17(2)3/h5-17,24,28H,4H2,1-3H3,(H,27,29)
InChIKeyKRQPTGVGNDMHCE-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.59
Rot. Bonds8

About N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide

N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 16600799) has the molecular formula C25H27FN2O3S and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID16600799
Molecular FormulaC25H27FN2O3S
Molecular Weight454.57 g/mol
Exact Mass454.17
IUPAC NameN-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCCc1ccc(C(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c2cccc(F)c2)cc1
InChIInChI=1S/C25H27FN2O3S/c1-4-18-8-10-19(11-9-18)24(21-6-5-7-22(26)16-21)27-25(29)20-12-14-23(15-13-20)32(30,31)28-17(2)3/h5-17,24,28H,4H2,1-3H3,(H,27,29)
InChIKeyKRQPTGVGNDMHCE-UHFFFAOYSA-N
XLogP4.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16600285
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]benzamide
CID 41138201
1-ethyl-N-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]benzotriazole-5-carboxamide
CID 26192842
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55583237
N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 27861535
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-methyl-3-nitrobenzamide
CID 16960203
(2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
CID 8830029
(4-ethylphenyl) 4-(propan-2-ylsulfamoyl)benzoate
CID 16592113
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 51955516
N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46568326

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide (CID 16600799) is N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide is CCc1ccc(C(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c2cccc(F)c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is KRQPTGVGNDMHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3S/c1-4-18-8-10-19(11-9-18)24(21-6-5-7-22(26)16-21)27-25(29)20-12-14-23(15-13-20)32(30,31)28-17(2)3/h5-17,24,28H,4H2,1-3H3,(H,27,29).
What are the key properties of N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide?
N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 454.57 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 16600799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).