N-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide

C19H21FN2O3S — CID 9374893

IUPACN-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCCC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O3S/c1-15-6-8-16(9-7-15)11-13-26(24,25)22-12-10-19(23)21-14-17-4-2-3-5-18(17)20/h2-9,11,13,22H,10,12,14H2,1H3,(H,21,23)/b13-11+
InChIKeyLWQVFXZTMGUFBP-ACCUITESSA-N
MW376.45 g/mol
LogP2.73
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide

N-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide (PubChem CID 9374893) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
PubChem CID9374893
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCCC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O3S/c1-15-6-8-16(9-7-15)11-13-26(24,25)22-12-10-19(23)21-14-17-4-2-3-5-18(17)20/h2-9,11,13,22H,10,12,14H2,1H3,(H,21,23)/b13-11+
InChIKeyLWQVFXZTMGUFBP-ACCUITESSA-N
XLogP2.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide (CID 9374893) is N-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide is Cc1ccc(/C=C/S(=O)(=O)NCCC(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide?
The InChIKey is LWQVFXZTMGUFBP-ACCUITESSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-15-6-8-16(9-7-15)11-13-26(24,25)22-12-10-19(23)21-14-17-4-2-3-5-18(17)20/h2-9,11,13,22H,10,12,14H2,1H3,(H,21,23)/b13-11+.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide?
N-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide has a molecular weight of 376.45 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 9374893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).