N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide

C18H21FN2O3S — CID 113068977

IUPACN-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
SMILESCc1cc(C)cc(N(CCNC(=O)c2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C18H21FN2O3S/c1-13-10-14(2)12-15(11-13)21(25(3,23)24)9-8-20-18(22)16-6-4-5-7-17(16)19/h4-7,10-12H,8-9H2,1-3H3,(H,20,22)
InChIKeyVYYIBDABUGPTLS-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.64
Rot. Bonds6

About N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide

N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide (PubChem CID 113068977) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
PubChem CID113068977
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
SMILESCc1cc(C)cc(N(CCNC(=O)c2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C18H21FN2O3S/c1-13-10-14(2)12-15(11-13)21(25(3,23)24)9-8-20-18(22)16-6-4-5-7-17(16)19/h4-7,10-12H,8-9H2,1-3H3,(H,20,22)
InChIKeyVYYIBDABUGPTLS-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
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069002
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113068983
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113069302
N-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113070787
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113142378
2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068703
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide
CID 113071641
2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide
CID 113058782
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide
CID 113066552
2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066894

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide (CID 113068977) is N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide is Cc1cc(C)cc(N(CCNC(=O)c2ccccc2F)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide?
The InChIKey is VYYIBDABUGPTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-13-10-14(2)12-15(11-13)21(25(3,23)24)9-8-20-18(22)16-6-4-5-7-17(16)19/h4-7,10-12H,8-9H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide?
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-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-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 113068977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).