N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide

C22H29FN2O3S — CID 53282646

IUPACN-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCC(C)C(NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)C(C)C
InChIInChI=1S/C22H29FN2O3S/c1-15(2)21(16(3)4)24-22(26)18-8-12-20(13-9-18)25(29(5,27)28)14-17-6-10-19(23)11-7-17/h6-13,15-16,21H,14H2,1-5H3,(H,24,26)
InChIKeyZKIJZMYSDFMSJS-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.20
Rot. Bonds8

About N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide

N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 53282646) has the molecular formula C22H29FN2O3S and a molecular weight of 420.55 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
PubChem CID53282646
Molecular FormulaC22H29FN2O3S
Molecular Weight420.55 g/mol
Exact Mass420.19
IUPAC NameN-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCC(C)C(NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)C(C)C
InChIInChI=1S/C22H29FN2O3S/c1-15(2)21(16(3)4)24-22(26)18-8-12-20(13-9-18)25(29(5,27)28)14-17-6-10-19(23)11-7-17/h6-13,15-16,21H,14H2,1-5H3,(H,24,26)
InChIKeyZKIJZMYSDFMSJS-UHFFFAOYSA-N
XLogP4.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dimethylpentan-3-yl)-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

N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133261991
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 19062213
N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282591
4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 133243740
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide
CID 1311662
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide
CID 41454674
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide
CID 19062205
4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 1106273
2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-propan-2-ylacetamide
CID 30130081
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133167206
4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide
CID 3119032
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(3-methoxyphenyl)benzamide
CID 53282493

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide (CID 53282646) is N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide is CC(C)C(NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is ZKIJZMYSDFMSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O3S/c1-15(2)21(16(3)4)24-22(26)18-8-12-20(13-9-18)25(29(5,27)28)14-17-6-10-19(23)11-7-17/h6-13,15-16,21H,14H2,1-5H3,(H,24,26).
What are the key properties of N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide?
N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 420.55 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 53282646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).