3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide

C20H19FN2O4S2 — CID 164708202

IUPAC3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCO[C@H](c2c(C(N)=O)sc3ccccc23)C1
InChIInChI=1S/C20H19FN2O4S2/c1-12-6-7-13(21)10-17(12)29(25,26)23-8-9-27-15(11-23)18-14-4-2-3-5-16(14)28-19(18)20(22)24/h2-7,10,15H,8-9,11H2,1H3,(H2,22,24)/t15-/m0/s1
InChIKeyCJPIMPAYBUVQQS-HNNXBMFYSA-N
MW434.51 g/mol
LogP3.21
Rot. Bonds4

About 3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide

3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 164708202) has the molecular formula C20H19FN2O4S2 and a molecular weight of 434.51 g/mol. Its IUPAC name is 3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID164708202
Molecular FormulaC20H19FN2O4S2
Molecular Weight434.51 g/mol
Exact Mass434.08
IUPAC Name3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCO[C@H](c2c(C(N)=O)sc3ccccc23)C1
InChIInChI=1S/C20H19FN2O4S2/c1-12-6-7-13(21)10-17(12)29(25,26)23-8-9-27-15(11-23)18-14-4-2-3-5-16(14)28-19(18)20(22)24/h2-7,10,15H,8-9,11H2,1H3,(H2,22,24)/t15-/m0/s1
InChIKeyCJPIMPAYBUVQQS-HNNXBMFYSA-N
XLogP3.21
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R)-4-(2,4,6-trimethylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 164708227
3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxamide
CID 110089169
3-[(2R)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 164708175
methyl 4-[(2R)-2-(2-carbamoyl-1-benzothiophen-3-yl)morpholin-4-yl]sulfonylbenzoate
CID 164708224
3-[4-(oxan-4-ylsulfonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 154997106
3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 164708198
3-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 110089103
[4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 61339337
3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid
CID 164708196
2-(chloromethyl)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81211515
3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 92619349
3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618919

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide (CID 164708202) is 3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide is Cc1ccc(F)cc1S(=O)(=O)N1CCO[C@H](c2c(C(N)=O)sc3ccccc23)C1.
What is the InChIKey of 3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is CJPIMPAYBUVQQS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19FN2O4S2/c1-12-6-7-13(21)10-17(12)29(25,26)23-8-9-27-15(11-23)18-14-4-2-3-5-16(14)28-19(18)20(22)24/h2-7,10,15H,8-9,11H2,1H3,(H2,22,24)/t15-/m0/s1.
What are the key properties of 3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide?
3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 434.51 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 164708202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).