3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide

C19H24N2O3S — CID 110251688

IUPAC3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide
SMILESCC(=O)N1CCOC(c2c(C(=O)NC(C)(C)C)sc3ccccc23)C1
InChIInChI=1S/C19H24N2O3S/c1-12(22)21-9-10-24-14(11-21)16-13-7-5-6-8-15(13)25-17(16)18(23)20-19(2,3)4/h5-8,14H,9-11H2,1-4H3,(H,20,23)
InChIKeyRFTFMRSFKJJOBB-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.35
Rot. Bonds2

About 3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide

3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide (PubChem CID 110251688) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide
PubChem CID110251688
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide
SMILESCC(=O)N1CCOC(c2c(C(=O)NC(C)(C)C)sc3ccccc23)C1
InChIInChI=1S/C19H24N2O3S/c1-12(22)21-9-10-24-14(11-21)16-13-7-5-6-8-15(13)25-17(16)18(23)20-19(2,3)4/h5-8,14H,9-11H2,1-4H3,(H,20,23)
InChIKeyRFTFMRSFKJJOBB-UHFFFAOYSA-N
XLogP3.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110269854
N-(2-methoxyethyl)-3-[(2R)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 95816494
N-(2-methoxyethyl)-3-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 95816495
N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92619469
3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 92618942
3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide
CID 110253943
3-[4-(1-methyl-6-oxopyridine-3-carbonyl)morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 110251191
N-(2-methoxyethyl)-3-[(2R)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618595
N-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110251221
3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 92619483

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide (CID 110251688) is 3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide is CC(=O)N1CCOC(c2c(C(=O)NC(C)(C)C)sc3ccccc23)C1.
What is the InChIKey of 3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide?
The InChIKey is RFTFMRSFKJJOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-12(22)21-9-10-24-14(11-21)16-13-7-5-6-8-15(13)25-17(16)18(23)20-19(2,3)4/h5-8,14H,9-11H2,1-4H3,(H,20,23).
What are the key properties of 3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide?
3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110251688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).