4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide

C24H25FN2O3S — CID 53287344

IUPAC4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
SMILESCc1cc(C)cc(N(Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C24H25FN2O3S/c1-17-12-18(2)14-23(13-17)27(31(3,29)30)16-20-4-8-21(9-5-20)24(28)26-15-19-6-10-22(25)11-7-19/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyQQVAEAIVOIIABG-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.34
Rot. Bonds7

About 4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide

4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 53287344) has the molecular formula C24H25FN2O3S and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID53287344
Molecular FormulaC24H25FN2O3S
Molecular Weight440.54 g/mol
Exact Mass440.16
IUPAC Name4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
SMILESCc1cc(C)cc(N(Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C24H25FN2O3S/c1-17-12-18(2)14-23(13-17)27(31(3,29)30)16-20-4-8-21(9-5-20)24(28)26-15-19-6-10-22(25)11-7-19/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyQQVAEAIVOIIABG-UHFFFAOYSA-N
XLogP4.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53287117
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113068979
4-[(2-fluoro-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287397
N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide
CID 53287248
N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 53287371
N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 53287051
N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 1107896
4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 38017941
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide
CID 19062205
N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282591
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 92679889
4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53287059

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide (CID 53287344) is 4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide is Cc1cc(C)cc(N(Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is QQVAEAIVOIIABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3S/c1-17-12-18(2)14-23(13-17)27(31(3,29)30)16-20-4-8-21(9-5-20)24(28)26-15-19-6-10-22(25)11-7-19/h4-14H,15-16H2,1-3H3,(H,26,28).
What are the key properties of 4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide?
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 440.54 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 53287344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).