2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide

C18H20F2N2O3S — CID 40746083

IUPAC2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C18H20F2N2O3S/c1-3-10-22(12-18(23)21-16-7-5-4-6-13(16)2)26(24,25)17-11-14(19)8-9-15(17)20/h4-9,11H,3,10,12H2,1-2H3,(H,21,23)
InChIKeyABXDBBPFVJVPRW-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.31
Rot. Bonds7

About 2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide

2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide (PubChem CID 40746083) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
PubChem CID40746083
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC Name2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C18H20F2N2O3S/c1-3-10-22(12-18(23)21-16-7-5-4-6-13(16)2)26(24,25)17-11-14(19)8-9-15(17)20/h4-9,11H,3,10,12H2,1-2H3,(H,21,23)
InChIKeyABXDBBPFVJVPRW-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2,5-difluorophenyl)sulfonyl-propylamino]acetate
CID 61008684
dimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate
CID 55352515
N-(2-methylphenyl)-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 24678170
N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide
CID 24678173
2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 4885065
2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 30329201
2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 30794360
2-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 112811360
N-butyl-2-[[2-(butylamino)-2-oxoethyl]-(2,5-difluorophenyl)sulfonylamino]acetamide
CID 18289830
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(propyl)amino]-N-(2-methylphenyl)acetamide
CID 55352496
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide
CID 28545696
2-[(2-chloro-4-methylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32675529

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide (CID 40746083) is 2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is ABXDBBPFVJVPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-3-10-22(12-18(23)21-16-7-5-4-6-13(16)2)26(24,25)17-11-14(19)8-9-15(17)20/h4-9,11H,3,10,12H2,1-2H3,(H,21,23).
What are the key properties of 2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide?
2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 382.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 40746083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).