N-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide

C27H25FN2O4S — CID 2136983

IUPACN-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
SMILESCCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C27H25FN2O4S/c1-4-19-6-12-24-22(14-19)27(32)25(35(33,34)21-9-7-20(28)8-10-21)15-30(24)16-26(31)29-23-11-5-17(2)13-18(23)3/h5-15H,4,16H2,1-3H3,(H,29,31)
InChIKeyGMRDTTXTVJORKS-UHFFFAOYSA-N
MW492.57 g/mol
LogP4.79
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide

N-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide (PubChem CID 2136983) has the molecular formula C27H25FN2O4S and a molecular weight of 492.57 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
PubChem CID2136983
Molecular FormulaC27H25FN2O4S
Molecular Weight492.57 g/mol
Exact Mass492.15
IUPAC NameN-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
SMILESCCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C27H25FN2O4S/c1-4-19-6-12-24-22(14-19)27(32)25(35(33,34)21-9-7-20(28)8-10-21)15-30(24)16-26(31)29-23-11-5-17(2)13-18(23)3/h5-15H,4,16H2,1-3H3,(H,29,31)
InChIKeyGMRDTTXTVJORKS-UHFFFAOYSA-N
XLogP4.79
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide (CID 2136983) is N-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide is CCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
The InChIKey is GMRDTTXTVJORKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O4S/c1-4-19-6-12-24-22(14-19)27(32)25(35(33,34)21-9-7-20(28)8-10-21)15-30(24)16-26(31)29-23-11-5-17(2)13-18(23)3/h5-15H,4,16H2,1-3H3,(H,29,31).
What are the key properties of N-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide has a molecular weight of 492.57 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 2136983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).