3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide

C15H13FN2OS2 — CID 79517764

IUPAC3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1sc2cccc(F)c2c1N
InChIInChI=1S/C15H13FN2OS2/c1-18(7-9-5-6-20-8-9)15(19)14-13(17)12-10(16)3-2-4-11(12)21-14/h2-6,8H,7,17H2,1H3
InChIKeyOPBKYIPFQCQAND-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.96
Rot. Bonds3

About 3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide

3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 79517764) has the molecular formula C15H13FN2OS2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID79517764
Molecular FormulaC15H13FN2OS2
Molecular Weight320.41 g/mol
Exact Mass320.05
IUPAC Name3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1sc2cccc(F)c2c1N
InChIInChI=1S/C15H13FN2OS2/c1-18(7-9-5-6-20-8-9)15(19)14-13(17)12-10(16)3-2-4-11(12)21-14/h2-6,8H,7,17H2,1H3
InChIKeyOPBKYIPFQCQAND-UHFFFAOYSA-N
XLogP3.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 79511158
4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62678324
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-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 79517609
N-[(4-ethylphenyl)methyl]-4-fluoro-3-(methoxymethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 31235182
3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 113386383
3-amino-4-bromo-N-(2,2-difluoroethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 114889346
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-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide (CID 79517764) is 3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide is CN(Cc1ccsc1)C(=O)c1sc2cccc(F)c2c1N.
What is the InChIKey of 3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is OPBKYIPFQCQAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS2/c1-18(7-9-5-6-20-8-9)15(19)14-13(17)12-10(16)3-2-4-11(12)21-14/h2-6,8H,7,17H2,1H3.
What are the key properties of 3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide?
3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79517764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).