4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide

C15H17FN2O2S — CID 17411260

IUPAC4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C15H17FN2O2S/c1-3-7-17-14(19)9-18(2)15(20)13-8-10-11(16)5-4-6-12(10)21-13/h4-6,8H,3,7,9H2,1-2H3,(H,17,19)
InChIKeyJAFMXQKFTNGBPR-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.64
Rot. Bonds5

About 4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide

4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 17411260) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID17411260
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C15H17FN2O2S/c1-3-7-17-14(19)9-18(2)15(20)13-8-10-11(16)5-4-6-12(10)21-13/h4-6,8H,3,7,9H2,1-2H3,(H,17,19)
InChIKeyJAFMXQKFTNGBPR-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 51095013
N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 134023621
2-[ethyl-(4-fluoro-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 54901411
4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 55028026
4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 38560898
4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 43002952
methyl 5-[[(4-fluoro-1-benzothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484572
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7972299
4-fluoro-N-(2-hydroxy-3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 115744570
2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61041053
3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61115445

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide (CID 17411260) is 4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide is CCCNC(=O)CN(C)C(=O)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is JAFMXQKFTNGBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-3-7-17-14(19)9-18(2)15(20)13-8-10-11(16)5-4-6-12(10)21-13/h4-6,8H,3,7,9H2,1-2H3,(H,17,19).
What are the key properties of 4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide?
4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17411260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).