N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide

C26H28F2N2O3S — CID 42726216

IUPACN-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCCN(C(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H28F2N2O3S/c1-26(2,3)20-7-15-24(16-8-20)34(32,33)29-17-4-18-30(23-13-11-22(28)12-14-23)25(31)19-5-9-21(27)10-6-19/h5-16,29H,4,17-18H2,1-3H3
InChIKeyBSWCKJUSHQFDDX-UHFFFAOYSA-N
MW486.58 g/mol
LogP5.28
Rot. Bonds8

About N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide

N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide (PubChem CID 42726216) has the molecular formula C26H28F2N2O3S and a molecular weight of 486.58 g/mol. Its IUPAC name is N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide
PubChem CID42726216
Molecular FormulaC26H28F2N2O3S
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC NameN-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCCN(C(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H28F2N2O3S/c1-26(2,3)20-7-15-24(16-8-20)34(32,33)29-17-4-18-30(23-13-11-22(28)12-14-23)25(31)19-5-9-21(27)10-6-19/h5-16,29H,4,17-18H2,1-3H3
InChIKeyBSWCKJUSHQFDDX-UHFFFAOYSA-N
XLogP5.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide
CID 42726365
N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide
CID 42706779
4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 9340595
4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 109060291
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide
CID 110358631
4-tert-butyl-N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069749
(4-chlorosulfonylphenyl)-[3-[(4-fluorobenzoyl)amino]propyl]carbamic acid
CID 156652582
N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide
CID 113061863
1-[3-[(4-chlorophenyl)sulfonylamino]propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea
CID 42657265
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060704
4-tert-butyl-N-[4-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)pyrrol-1-yl]butyl]benzenesulfonamide
CID 141387307

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide?
The IUPAC name of N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide (CID 42726216) is N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide?
The canonical SMILES for N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide is CC(C)(C)c1ccc(S(=O)(=O)NCCCN(C(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide?
The InChIKey is BSWCKJUSHQFDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O3S/c1-26(2,3)20-7-15-24(16-8-20)34(32,33)29-17-4-18-30(23-13-11-22(28)12-14-23)25(31)19-5-9-21(27)10-6-19/h5-16,29H,4,17-18H2,1-3H3.
What are the key properties of N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide?
N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide has a molecular weight of 486.58 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 42726216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).