N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide

C21H21FN2O3S — CID 2442734

IUPACN-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C21H21FN2O3S/c1-3-24(20-10-6-8-16-7-4-5-9-19(16)20)21(25)15-23(2)28(26,27)18-13-11-17(22)12-14-18/h4-14H,3,15H2,1-2H3
InChIKeyGOVJFINAEYDZBI-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.65
Rot. Bonds6

About N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide

N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide (PubChem CID 2442734) has the molecular formula C21H21FN2O3S and a molecular weight of 400.48 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
PubChem CID2442734
Molecular FormulaC21H21FN2O3S
Molecular Weight400.48 g/mol
Exact Mass400.13
IUPAC NameN-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C21H21FN2O3S/c1-3-24(20-10-6-8-16-7-4-5-9-19(16)20)21(25)15-23(2)28(26,27)18-13-11-17(22)12-14-18/h4-14H,3,15H2,1-2H3
InChIKeyGOVJFINAEYDZBI-UHFFFAOYSA-N
XLogP3.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-phenylbutanamide
CID 55363261
4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide
CID 154857610
N-cyclohexyl-N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 55327533
N-ethyl-2-[ethyl(2-hydroxyethyl)amino]-N-naphthalen-1-ylacetamide
CID 110881176
N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 26960625
N-[(2-bromophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 34866736
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794413
N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502093
4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide
CID 3781251
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide
CID 55602011
2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide
CID 55614680
N-(2-ethoxyphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 2196369

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide?
The IUPAC name of N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide (CID 2442734) is N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide is CCN(C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide?
The InChIKey is GOVJFINAEYDZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3S/c1-3-24(20-10-6-8-16-7-4-5-9-19(16)20)21(25)15-23(2)28(26,27)18-13-11-17(22)12-14-18/h4-14H,3,15H2,1-2H3.
What are the key properties of N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide?
N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide has a molecular weight of 400.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 2442734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).