4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide

C23H25FN2O5S2 — CID 17443904

IUPAC4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)sc2cccc(F)c12
InChIInChI=1S/C23H25FN2O5S2/c1-30-14-16-21-17(24)7-6-8-19(21)32-22(16)23(27)25-15-9-10-18(31-2)20(13-15)33(28,29)26-11-4-3-5-12-26/h6-10,13H,3-5,11-12,14H2,1-2H3,(H,25,27)
InChIKeyNXXMVXGWHDUSNE-UHFFFAOYSA-N
MW492.59 g/mol
LogP4.62
Rot. Bonds7

About 4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide

4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 17443904) has the molecular formula C23H25FN2O5S2 and a molecular weight of 492.59 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide
PubChem CID17443904
Molecular FormulaC23H25FN2O5S2
Molecular Weight492.59 g/mol
Exact Mass492.12
IUPAC Name4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)sc2cccc(F)c12
InChIInChI=1S/C23H25FN2O5S2/c1-30-14-16-21-17(24)7-6-8-19(21)32-22(16)23(27)25-15-9-10-18(31-2)20(13-15)33(28,29)26-11-4-3-5-12-26/h6-10,13H,3-5,11-12,14H2,1-2H3,(H,25,27)
InChIKeyNXXMVXGWHDUSNE-UHFFFAOYSA-N
XLogP4.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 27667583
2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742152
4-fluoro-3-(methoxymethyl)-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27666393
N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 55533243
N-(3,5-dimethylphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 7668737
3,5-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 4874945
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 7917108
4-fluoro-3-(methoxymethyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 55749165
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 119677462
N-(2,6-dimethylphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 16562791

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide (CID 17443904) is 4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide is COCc1c(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is NXXMVXGWHDUSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O5S2/c1-30-14-16-21-17(24)7-6-8-19(21)32-22(16)23(27)25-15-9-10-18(31-2)20(13-15)33(28,29)26-11-4-3-5-12-26/h6-10,13H,3-5,11-12,14H2,1-2H3,(H,25,27).
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide?
4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 492.59 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17443904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).