3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide

C14H17FN2OS — CID 79511482

IUPAC3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide
SMILESCCCN(CC)C(=O)c1sc2cccc(F)c2c1N
InChIInChI=1S/C14H17FN2OS/c1-3-8-17(4-2)14(18)13-12(16)11-9(15)6-5-7-10(11)19-13/h5-7H,3-4,8,16H2,1-2H3
InChIKeyRPVPPGKHRGQHFS-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.49
Rot. Bonds4

About 3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide

3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide (PubChem CID 79511482) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide
PubChem CID79511482
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide
SMILESCCCN(CC)C(=O)c1sc2cccc(F)c2c1N
InChIInChI=1S/C14H17FN2OS/c1-3-8-17(4-2)14(18)13-12(16)11-9(15)6-5-7-10(11)19-13/h5-7H,3-4,8,16H2,1-2H3
InChIKeyRPVPPGKHRGQHFS-UHFFFAOYSA-N
XLogP3.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-cyanopropyl)-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide
CID 79516002
3-amino-4-fluoro-N-methyl-N-pentyl-1-benzothiophene-2-carboxamide
CID 79512263
3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide
CID 79511065
3-amino-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide
CID 79516852
3-amino-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-benzothiophene-2-carboxamide
CID 115988092
3-amino-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 79511158
3-amino-4-bromo-N-(2-cyanoethyl)-N-ethyl-1-benzothiophene-2-carboxamide
CID 114889066
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 79517609
3-amino-4-bromo-N-(2-ethoxyethyl)-N-ethyl-1-benzothiophene-2-carboxamide
CID 114889154
3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 79517764
3-amino-N-(cyclopropylmethyl)-4-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 79517007
3-amino-4-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 79512370

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide (CID 79511482) is 3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide is CCCN(CC)C(=O)c1sc2cccc(F)c2c1N.
What is the InChIKey of 3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide?
The InChIKey is RPVPPGKHRGQHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-3-8-17(4-2)14(18)13-12(16)11-9(15)6-5-7-10(11)19-13/h5-7H,3-4,8,16H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide?
3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-fluoro-N-propyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79511482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).