N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide

C18H19F3N2O3S — CID 20630469

IUPACN-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-2-3-4-13-5-9-15(10-6-13)22-17(24)14-7-11-16(12-8-14)23-27(25,26)18(19,20)21/h5-12,23H,2-4H2,1H3,(H,22,24)
InChIKeyAYZGVNXXGUKEMX-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.54
Rot. Bonds7

About N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide

N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide (PubChem CID 20630469) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide
PubChem CID20630469
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC NameN-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-2-3-4-13-5-9-15(10-6-13)22-17(24)14-7-11-16(12-8-14)23-27(25,26)18(19,20)21/h5-12,23H,2-4H2,1H3,(H,22,24)
InChIKeyAYZGVNXXGUKEMX-UHFFFAOYSA-N
XLogP4.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide
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5-[(4-butylbenzoyl)amino]-2-fluorobenzenesulfonic acid
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4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene
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CID 8961050
N-(4-butylphenyl)-4-(4-methylphenoxy)benzamide
CID 16651108
4-butyl-N-(3,4-dichlorophenyl)benzamide
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N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide?
The IUPAC name of N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide (CID 20630469) is N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide.
What is the SMILES notation for N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide?
The canonical SMILES for N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide is CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide?
The InChIKey is AYZGVNXXGUKEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-2-3-4-13-5-9-15(10-6-13)22-17(24)14-7-11-16(12-8-14)23-27(25,26)18(19,20)21/h5-12,23H,2-4H2,1H3,(H,22,24).
What are the key properties of N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide?
N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide has a molecular weight of 400.42 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide is sourced from PubChem (CID 20630469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).