2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide

C22H21FN2O3S — CID 2108598

IUPAC2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C22H21FN2O3S/c1-17-8-7-11-19(14-17)24-22(26)16-25(15-18-9-3-2-4-10-18)29(27,28)21-13-6-5-12-20(21)23/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyRRPLIYRNAPRHFY-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.96
Rot. Bonds7

About 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide

2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide (PubChem CID 2108598) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
PubChem CID2108598
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C22H21FN2O3S/c1-17-8-7-11-19(14-17)24-22(26)16-25(15-18-9-3-2-4-10-18)29(27,28)21-13-6-5-12-20(21)23/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyRRPLIYRNAPRHFY-UHFFFAOYSA-N
XLogP3.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 126081673
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1329355
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27036482
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 3898762
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 4537352
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1232004
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide
CID 42560660
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1330301
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 126011905

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide (CID 2108598) is 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide?
The InChIKey is RRPLIYRNAPRHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-17-8-7-11-19(14-17)24-22(26)16-25(15-18-9-3-2-4-10-18)29(27,28)21-13-6-5-12-20(21)23/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide?
2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 2108598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).