N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide

C18H21FN2O3S — CID 113068914

IUPACN-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
SMILESCc1ccc(N(CCNC(=O)c2ccc(F)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C18H21FN2O3S/c1-13-4-9-17(12-14(13)2)21(25(3,23)24)11-10-20-18(22)15-5-7-16(19)8-6-15/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyOQSJQBWLSDTUHE-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.64
Rot. Bonds6

About N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide

N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide (PubChem CID 113068914) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
PubChem CID113068914
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
SMILESCc1ccc(N(CCNC(=O)c2ccc(F)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C18H21FN2O3S/c1-13-4-9-17(12-14(13)2)21(25(3,23)24)11-10-20-18(22)15-5-7-16(19)8-6-15/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyOQSJQBWLSDTUHE-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113068979
4-tert-butyl-N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069749
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3,4-dimethylbenzamide
CID 113071294
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113068983
N-[2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113070232
N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113069746
4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113071489
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113068921
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113071036
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethoxybenzamide
CID 113071490
3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide (CID 113068914) is N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide is Cc1ccc(N(CCNC(=O)c2ccc(F)cc2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide?
The InChIKey is OQSJQBWLSDTUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-13-4-9-17(12-14(13)2)21(25(3,23)24)11-10-20-18(22)15-5-7-16(19)8-6-15/h4-9,12H,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide?
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide has a molecular weight of 364.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 113068914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).