3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide

C19H25N3O3S — CID 110251209

IUPAC3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
SMILESCC(=O)N1CCOC(c2c(C(=O)NCCN(C)C)sc3ccccc23)C1
InChIInChI=1S/C19H25N3O3S/c1-13(23)22-10-11-25-15(12-22)17-14-6-4-5-7-16(14)26-18(17)19(24)20-8-9-21(2)3/h4-7,15H,8-12H2,1-3H3,(H,20,24)
InChIKeyOVMXFJBGPGNWCK-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.11
Rot. Bonds5

About 3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide

3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 110251209) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID110251209
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
SMILESCC(=O)N1CCOC(c2c(C(=O)NCCN(C)C)sc3ccccc23)C1
InChIInChI=1S/C19H25N3O3S/c1-13(23)22-10-11-25-15(12-22)17-14-6-4-5-7-16(14)26-18(17)19(24)20-8-9-21(2)3/h4-7,15H,8-12H2,1-3H3,(H,20,24)
InChIKeyOVMXFJBGPGNWCK-UHFFFAOYSA-N
XLogP2.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-[(2S)-4-acetylmorpholin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 125023417
3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide
CID 110251688
3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide
CID 110253943
3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 92619483
3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 92618942
3-[(2R)-4-[2-(azepan-1-yl)acetyl]morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 92619426
N-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110251221
N-(2-methoxyethyl)-3-[(2R)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618595
3-[(2R)-4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 92619041
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-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide (CID 110251209) is 3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide is CC(=O)N1CCOC(c2c(C(=O)NCCN(C)C)sc3ccccc23)C1.
What is the InChIKey of 3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is OVMXFJBGPGNWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13(23)22-10-11-25-15(12-22)17-14-6-4-5-7-16(14)26-18(17)19(24)20-8-9-21(2)3/h4-7,15H,8-12H2,1-3H3,(H,20,24).
What are the key properties of 3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide?
3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110251209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).