N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide

C23H31FN2O3S — CID 133163863

IUPACN-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C23H31FN2O3S/c1-4-6-9-18(5-2)16-25-23(27)19-12-14-21(15-13-19)26(30(3,28)29)17-20-10-7-8-11-22(20)24/h7-8,10-15,18H,4-6,9,16-17H2,1-3H3,(H,25,27)
InChIKeyORBLMNIOPYQSJF-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.74
Rot. Bonds11

About N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide

N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 133163863) has the molecular formula C23H31FN2O3S and a molecular weight of 434.58 g/mol. Its IUPAC name is N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
PubChem CID133163863
Molecular FormulaC23H31FN2O3S
Molecular Weight434.58 g/mol
Exact Mass434.20
IUPAC NameN-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C23H31FN2O3S/c1-4-6-9-18(5-2)16-25-23(27)19-12-14-21(15-13-19)26(30(3,28)29)17-20-10-7-8-11-22(20)24/h7-8,10-15,18H,4-6,9,16-17H2,1-3H3,(H,25,27)
InChIKeyORBLMNIOPYQSJF-UHFFFAOYSA-N
XLogP4.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 133229169
4-[(3-bromo-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide
CID 133218548
4-(dimethylamino)-N-(2-ethylhexyl)benzamide
CID 60520434
4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide
CID 133202074
4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide
CID 100505148
N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282659
N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 19062175
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 94020257
N-butyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131067
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 30394400
2-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133163859
N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide
CID 100546563

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide (CID 133163863) is N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide is CCCCC(CC)CNC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is ORBLMNIOPYQSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O3S/c1-4-6-9-18(5-2)16-25-23(27)19-12-14-21(15-13-19)26(30(3,28)29)17-20-10-7-8-11-22(20)24/h7-8,10-15,18H,4-6,9,16-17H2,1-3H3,(H,25,27).
What are the key properties of N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide?
N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 434.58 g/mol, XLogP of 4.74, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 133163863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).