3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide

C18H20N4O2S — CID 92618919

IUPAC3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCn1nccc1CN1CCO[C@H](c2c(C(N)=O)sc3ccccc23)C1
InChIInChI=1S/C18H20N4O2S/c1-21-12(6-7-20-21)10-22-8-9-24-14(11-22)16-13-4-2-3-5-15(13)25-17(16)18(19)23/h2-7,14H,8-11H2,1H3,(H2,19,23)/t14-/m0/s1
InChIKeyYDHMFHUEJVRMNL-AWEZNQCLSA-N
MW356.45 g/mol
LogP2.31
Rot. Bonds4

About 3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide

3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 92618919) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID92618919
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCn1nccc1CN1CCO[C@H](c2c(C(N)=O)sc3ccccc23)C1
InChIInChI=1S/C18H20N4O2S/c1-21-12(6-7-20-21)10-22-8-9-24-14(11-22)16-13-4-2-3-5-15(13)25-17(16)18(19)23/h2-7,14H,8-11H2,1H3,(H2,19,23)/t14-/m0/s1
InChIKeyYDHMFHUEJVRMNL-AWEZNQCLSA-N
XLogP2.31
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110251329
3-[(2S)-4-[[2-(dimethylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92619412
3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 95830336
N-methyl-3-[4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110259853
N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618961
[3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 110251305
3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxamide
CID 110089169
3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124978150
N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 95830331
3-[(2R)-4-[(2-ethylpyrimidin-5-yl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 92619375
3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110269842
3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 110251301

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide (CID 92618919) is 3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide is Cn1nccc1CN1CCO[C@H](c2c(C(N)=O)sc3ccccc23)C1.
What is the InChIKey of 3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is YDHMFHUEJVRMNL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-21-12(6-7-20-21)10-22-8-9-24-14(11-22)16-13-4-2-3-5-15(13)25-17(16)18(19)23/h2-7,14H,8-11H2,1H3,(H2,19,23)/t14-/m0/s1.
What are the key properties of 3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide?
3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 92618919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).