3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide

C23H25N3O3S — CID 110253943

IUPAC3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide
SMILESCC(=O)N1CCOC(c2c(C(=O)N(C)CCc3ccncc3)sc3ccccc23)C1
InChIInChI=1S/C23H25N3O3S/c1-16(27)26-13-14-29-19(15-26)21-18-5-3-4-6-20(18)30-22(21)23(28)25(2)12-9-17-7-10-24-11-8-17/h3-8,10-11,19H,9,12-15H2,1-2H3
InChIKeyIGSILEVDFHXVFW-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.53
Rot. Bonds5

About 3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide

3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 110253943) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID110253943
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide
SMILESCC(=O)N1CCOC(c2c(C(=O)N(C)CCc3ccncc3)sc3ccccc23)C1
InChIInChI=1S/C23H25N3O3S/c1-16(27)26-13-14-29-19(15-26)21-18-5-3-4-6-20(18)30-22(21)23(28)25(2)12-9-17-7-10-24-11-8-17/h3-8,10-11,19H,9,12-15H2,1-2H3
InChIKeyIGSILEVDFHXVFW-UHFFFAOYSA-N
XLogP3.53
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-4-acetylmorpholin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 125023417
3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 110251209
3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 92618942
3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide
CID 110251688
3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(2-hydroxyethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 110251304
N-[2-(dimethylamino)ethyl]-3-[(2S)-4-(3-methylbutanoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92619609
3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 110251289
morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone
CID 110253769
morpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone
CID 92619490
3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 127248417
3-[(2S)-4-[[2-(dimethylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92619412
N-(2-methoxyethyl)-3-[(2R)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 95816494

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide (CID 110253943) is 3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide is CC(=O)N1CCOC(c2c(C(=O)N(C)CCc3ccncc3)sc3ccccc23)C1.
What is the InChIKey of 3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is IGSILEVDFHXVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-16(27)26-13-14-29-19(15-26)21-18-5-3-4-6-20(18)30-22(21)23(28)25(2)12-9-17-7-10-24-11-8-17/h3-8,10-11,19H,9,12-15H2,1-2H3.
What are the key properties of 3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide?
3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110253943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).