N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide

C19H18FNO2S — CID 18120040

IUPACN-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)N(C)CCOc2ccccc2F)sc2ccccc12
InChIInChI=1S/C19H18FNO2S/c1-13-14-7-3-6-10-17(14)24-18(13)19(22)21(2)11-12-23-16-9-5-4-8-15(16)20/h3-10H,11-12H2,1-2H3
InChIKeyVDCSNMMDXKGJGR-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.50
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide (PubChem CID 18120040) has the molecular formula C19H18FNO2S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide
PubChem CID18120040
Molecular FormulaC19H18FNO2S
Molecular Weight343.42 g/mol
Exact Mass343.10
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)N(C)CCOc2ccccc2F)sc2ccccc12
InChIInChI=1S/C19H18FNO2S/c1-13-14-7-3-6-10-17(14)24-18(13)19(22)21(2)11-12-23-16-9-5-4-8-15(16)20/h3-10H,11-12H2,1-2H3
InChIKeyVDCSNMMDXKGJGR-UHFFFAOYSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide (CID 18120040) is N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)N(C)CCOc2ccccc2F)sc2ccccc12.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide?
The InChIKey is VDCSNMMDXKGJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S/c1-13-14-7-3-6-10-17(14)24-18(13)19(22)21(2)11-12-23-16-9-5-4-8-15(16)20/h3-10H,11-12H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18120040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).