N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C25H25FN2O3S — CID 47009631

IUPACN-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(Cc3ccc(F)cc3)C3CC3)cc2)cc1
InChIInChI=1S/C25H25FN2O3S/c1-18-3-15-24(16-4-18)32(30,31)27(2)22-11-7-20(8-12-22)25(29)28(23-13-14-23)17-19-5-9-21(26)10-6-19/h3-12,15-16,23H,13-14,17H2,1-2H3
InChIKeyDWUDVLBBFPDUBY-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.76
Rot. Bonds7

About N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 47009631) has the molecular formula C25H25FN2O3S and a molecular weight of 452.55 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID47009631
Molecular FormulaC25H25FN2O3S
Molecular Weight452.55 g/mol
Exact Mass452.16
IUPAC NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(Cc3ccc(F)cc3)C3CC3)cc2)cc1
InChIInChI=1S/C25H25FN2O3S/c1-18-3-15-24(16-4-18)32(30,31)27(2)22-11-7-20(8-12-22)25(29)28(23-13-14-23)17-19-5-9-21(26)10-6-19/h3-12,15-16,23H,13-14,17H2,1-2H3
InChIKeyDWUDVLBBFPDUBY-UHFFFAOYSA-N
XLogP4.76
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 16606779
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 46402431
N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32589817
N-(4-fluorophenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787902
N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-4-methylbenzamide
CID 18817810
methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate
CID 37417742
N-cyclopropyl-4-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 9298439
4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide
CID 38371562
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 26426471

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 47009631) is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(Cc3ccc(F)cc3)C3CC3)cc2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is DWUDVLBBFPDUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3S/c1-18-3-15-24(16-4-18)32(30,31)27(2)22-11-7-20(8-12-22)25(29)28(23-13-14-23)17-19-5-9-21(26)10-6-19/h3-12,15-16,23H,13-14,17H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 452.55 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 47009631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).