N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide

C24H24FN3O4S — CID 17192300

IUPACN-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O4S/c1-28(17-18-7-3-2-4-8-18)24(30)21-9-5-6-10-22(21)27-23(29)15-16-26-33(31,32)20-13-11-19(25)12-14-20/h2-14,26H,15-17H2,1H3,(H,27,29)
InChIKeyOPCJSMRSROTDHM-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.40
Rot. Bonds9

About N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide

N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide (PubChem CID 17192300) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide
PubChem CID17192300
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC NameN-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O4S/c1-28(17-18-7-3-2-4-8-18)24(30)21-9-5-6-10-22(21)27-23(29)15-16-26-33(31,32)20-13-11-19(25)12-14-20/h2-14,26H,15-17H2,1H3,(H,27,29)
InChIKeyOPCJSMRSROTDHM-UHFFFAOYSA-N
XLogP3.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154235
N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 17192288
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192162
N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154248
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17192294
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31544702
N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 60670598
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192157
N-benzyl-2-[(2-methoxyacetyl)amino]-N-methylbenzamide
CID 17311924
N-benzyl-2-[3-(2-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 17179013
N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide
CID 17311665

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide?
The IUPAC name of N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide (CID 17192300) is N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide?
The InChIKey is OPCJSMRSROTDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-28(17-18-7-3-2-4-8-18)24(30)21-9-5-6-10-22(21)27-23(29)15-16-26-33(31,32)20-13-11-19(25)12-14-20/h2-14,26H,15-17H2,1H3,(H,27,29).
What are the key properties of N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide?
N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide has a molecular weight of 469.54 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 17192300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).