N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide

C18H21FN2O3S — CID 113069673

IUPACN-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCN(c2ccccc2F)S(C)(=O)=O)cc1C
InChIInChI=1S/C18H21FN2O3S/c1-13-8-9-15(12-14(13)2)18(22)20-10-11-21(25(3,23)24)17-7-5-4-6-16(17)19/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyPIWNKYSDGFNUBT-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.64
Rot. Bonds6

About N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide

N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide (PubChem CID 113069673) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
PubChem CID113069673
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCN(c2ccccc2F)S(C)(=O)=O)cc1C
InChIInChI=1S/C18H21FN2O3S/c1-13-8-9-15(12-14(13)2)18(22)20-10-11-21(25(3,23)24)17-7-5-4-6-16(17)19/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyPIWNKYSDGFNUBT-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

3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544
3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
CID 113069362
N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113070047
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide
CID 113059183
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113068983
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066900
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3,4-dimethylbenzamide
CID 113071294
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide
CID 113071824
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113068914
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113069660
1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069700
1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113069707

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide (CID 113069673) is N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCCN(c2ccccc2F)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide?
The InChIKey is PIWNKYSDGFNUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-13-8-9-15(12-14(13)2)18(22)20-10-11-21(25(3,23)24)17-7-5-4-6-16(17)19/h4-9,12H,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide?
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide 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-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 113069673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).