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

C18H21FN2O5S — CID 113070787

IUPACN-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
SMILESCOc1ccc(OC)c(N(CCNC(=O)c2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C18H21FN2O5S/c1-25-13-8-9-17(26-2)16(12-13)21(27(3,23)24)11-10-20-18(22)14-6-4-5-7-15(14)19/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyZKEBBMGISIKYSW-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.04
Rot. Bonds8

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

N-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide (PubChem CID 113070787) has the molecular formula C18H21FN2O5S and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
PubChem CID113070787
Molecular FormulaC18H21FN2O5S
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC NameN-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
SMILESCOc1ccc(OC)c(N(CCNC(=O)c2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C18H21FN2O5S/c1-25-13-8-9-17(26-2)16(12-13)21(27(3,23)24)11-10-20-18(22)14-6-4-5-7-15(14)19/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyZKEBBMGISIKYSW-UHFFFAOYSA-N
XLogP2.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113068977
2-[[2-(2,5-dimethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 2957888
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30220843
4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070383
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide
CID 113070611
2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068703
N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1102401
3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068540
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113070559
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 30151941
N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide (CID 113070787) is N-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide is COc1ccc(OC)c(N(CCNC(=O)c2ccccc2F)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide?
The InChIKey is ZKEBBMGISIKYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5S/c1-25-13-8-9-17(26-2)16(12-13)21(27(3,23)24)11-10-20-18(22)14-6-4-5-7-15(14)19/h4-9,12H,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide?
N-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide has a molecular weight of 396.44 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 113070787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).