N-(4-fluorophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide

C16H17FN2O3S — CID 881515

IUPACN-(4-fluorophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C16H17FN2O3S/c1-12-4-3-5-15(10-12)19(23(2,21)22)11-16(20)18-14-8-6-13(17)7-9-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyLDACWRMJEQEVPH-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.54
Rot. Bonds5

About N-(4-fluorophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide

N-(4-fluorophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 881515) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
PubChem CID881515
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-(4-fluorophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C16H17FN2O3S/c1-12-4-3-5-15(10-12)19(23(2,21)22)11-16(20)18-14-8-6-13(17)7-9-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyLDACWRMJEQEVPH-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide (CID 881515) is N-(4-fluorophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide is Cc1cccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is LDACWRMJEQEVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-12-4-3-5-15(10-12)19(23(2,21)22)11-16(20)18-14-8-6-13(17)7-9-14/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-(4-fluorophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
N-(4-fluorophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 881515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).