N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide

C19H23FN2O3S — CID 53282591

IUPACN-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O3S/c1-19(2,3)21-18(23)15-7-11-17(12-8-15)22(26(4,24)25)13-14-5-9-16(20)10-6-14/h5-12H,13H2,1-4H3,(H,21,23)
InChIKeyUWQGLGCFCYYTQA-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.32
Rot. Bonds5

About N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide

N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 53282591) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
PubChem CID53282591
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O3S/c1-19(2,3)21-18(23)15-7-11-17(12-8-15)22(26(4,24)25)13-14-5-9-16(20)10-6-14/h5-12H,13H2,1-4H3,(H,21,23)
InChIKeyUWQGLGCFCYYTQA-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 53287371
N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282646
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide
CID 41454674
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide
CID 19062205
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
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(3-methoxyphenyl)benzamide
CID 53282493
N-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide
CID 100618000
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287344
N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 91671619
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1290601
(2R)-N-tert-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]propanamide
CID 125058933

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide (CID 53282591) is N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide is CC(C)(C)NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is UWQGLGCFCYYTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-19(2,3)21-18(23)15-7-11-17(12-8-15)22(26(4,24)25)13-14-5-9-16(20)10-6-14/h5-12H,13H2,1-4H3,(H,21,23).
What are the key properties of N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide?
N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 378.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 53282591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).