N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide

C25H27FN2O3S — CID 133261991

IUPACN-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCCc1ccc(C(C)NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H27FN2O3S/c1-4-19-5-9-21(10-6-19)18(2)27-25(29)22-11-15-24(16-12-22)28(32(3,30)31)17-20-7-13-23(26)14-8-20/h5-16,18H,4,17H2,1-3H3,(H,27,29)
InChIKeyUBCOBQORPDBZPM-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.85
Rot. Bonds8

About N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide

N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 133261991) has the molecular formula C25H27FN2O3S and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
PubChem CID133261991
Molecular FormulaC25H27FN2O3S
Molecular Weight454.57 g/mol
Exact Mass454.17
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCCc1ccc(C(C)NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H27FN2O3S/c1-4-19-5-9-21(10-6-19)18(2)27-25(29)22-11-15-24(16-12-22)28(32(3,30)31)17-20-7-13-23(26)14-8-20/h5-16,18H,4,17H2,1-3H3,(H,27,29)
InChIKeyUBCOBQORPDBZPM-UHFFFAOYSA-N
XLogP4.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100544112
4-[(4-ethoxy-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 125060844
4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100567468
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100765407
N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282646
4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 1106273
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92672055
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 53287557
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 94019026
N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282591
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 19062213
N-[1-[1-(4-ethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 75130560

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide (CID 133261991) is N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide is CCc1ccc(C(C)NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is UBCOBQORPDBZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3S/c1-4-19-5-9-21(10-6-19)18(2)27-25(29)22-11-15-24(16-12-22)28(32(3,30)31)17-20-7-13-23(26)14-8-20/h5-16,18H,4,17H2,1-3H3,(H,27,29).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide?
N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 454.57 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 133261991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).