2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide

C19H23FN2O3S — CID 2188946

IUPAC2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23FN2O3S/c1-3-12-21-19(23)14-22(13-16-6-4-5-7-18(16)20)26(24,25)17-10-8-15(2)9-11-17/h4-11H,3,12-14H2,1-2H3,(H,21,23)
InChIKeyYLWDSGOJHFISKP-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.85
Rot. Bonds8

About 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide

2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide (PubChem CID 2188946) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide
PubChem CID2188946
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23FN2O3S/c1-3-12-21-19(23)14-22(13-16-6-4-5-7-18(16)20)26(24,25)17-10-8-15(2)9-11-17/h4-11H,3,12-14H2,1-2H3,(H,21,23)
InChIKeyYLWDSGOJHFISKP-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide (CID 2188946) is 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide is CCCNC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide?
The InChIKey is YLWDSGOJHFISKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-3-12-21-19(23)14-22(13-16-6-4-5-7-18(16)20)26(24,25)17-10-8-15(2)9-11-17/h4-11H,3,12-14H2,1-2H3,(H,21,23).
What are the key properties of 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide?
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide has a molecular weight of 378.47 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide is sourced from PubChem (CID 2188946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).