5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide

C17H16FNO2S2 — CID 95058270

IUPAC5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide
SMILESCC[C@H](NC(=O)c1sc2ccc(F)cc2c1OC)c1cccs1
InChIInChI=1S/C17H16FNO2S2/c1-3-12(14-5-4-8-22-14)19-17(20)16-15(21-2)11-9-10(18)6-7-13(11)23-16/h4-9,12H,3H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyCCFCFZIWWPZBBW-LBPRGKRZSA-N
MW349.45 g/mol
LogP4.99
Rot. Bonds5

About 5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide

5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide (PubChem CID 95058270) has the molecular formula C17H16FNO2S2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide
PubChem CID95058270
Molecular FormulaC17H16FNO2S2
Molecular Weight349.45 g/mol
Exact Mass349.06
IUPAC Name5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide
SMILESCC[C@H](NC(=O)c1sc2ccc(F)cc2c1OC)c1cccs1
InChIInChI=1S/C17H16FNO2S2/c1-3-12(14-5-4-8-22-14)19-17(20)16-15(21-2)11-9-10(18)6-7-13(11)23-16/h4-9,12H,3H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyCCFCFZIWWPZBBW-LBPRGKRZSA-N
XLogP4.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide (CID 95058270) is 5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide is CC[C@H](NC(=O)c1sc2ccc(F)cc2c1OC)c1cccs1.
What is the InChIKey of 5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide?
The InChIKey is CCFCFZIWWPZBBW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16FNO2S2/c1-3-12(14-5-4-8-22-14)19-17(20)16-15(21-2)11-9-10(18)6-7-13(11)23-16/h4-9,12H,3H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide?
5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 95058270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).