3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide

C21H26N2O4S — CID 92619483

IUPAC3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCO)c1sc2ccccc2c1[C@H]1CN(C(=O)C2CCCC2)CCO1
InChIInChI=1S/C21H26N2O4S/c24-11-9-22-20(25)19-18(15-7-3-4-8-17(15)28-19)16-13-23(10-12-27-16)21(26)14-5-1-2-6-14/h3-4,7-8,14,16,24H,1-2,5-6,9-13H2,(H,22,25)/t16-/m1/s1
InChIKeyCOVQFFOFMBAQPG-MRXNPFEDSA-N
MW402.52 g/mol
LogP2.71
Rot. Bonds5

About 3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide

3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide (PubChem CID 92619483) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
PubChem CID92619483
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCO)c1sc2ccccc2c1[C@H]1CN(C(=O)C2CCCC2)CCO1
InChIInChI=1S/C21H26N2O4S/c24-11-9-22-20(25)19-18(15-7-3-4-8-17(15)28-19)16-13-23(10-12-27-16)21(26)14-5-1-2-6-14/h3-4,7-8,14,16,24H,1-2,5-6,9-13H2,(H,22,25)/t16-/m1/s1
InChIKeyCOVQFFOFMBAQPG-MRXNPFEDSA-N
XLogP2.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R)-4-[2-(azepan-1-yl)acetyl]morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 92619426
3-[(2R)-4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 92619041
N-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110251221
3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 110251289
3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 110251209
N-(2-hydroxyethyl)-3-[(2R)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618962
N-(2-methoxyethyl)-3-[(2R)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618595
N-[2-(dimethylamino)ethyl]-3-[(2S)-4-(3-methylbutanoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92619609
3-[(2S)-4-acetylmorpholin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 125023417
3-[4-(1,5-dimethylpyrazole-4-carbonyl)morpholin-2-yl]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 110251310
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

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide (CID 92619483) is 3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide is O=C(NCCO)c1sc2ccccc2c1[C@H]1CN(C(=O)C2CCCC2)CCO1.
What is the InChIKey of 3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is COVQFFOFMBAQPG-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O4S/c24-11-9-22-20(25)19-18(15-7-3-4-8-17(15)28-19)16-13-23(10-12-27-16)21(26)14-5-1-2-6-14/h3-4,7-8,14,16,24H,1-2,5-6,9-13H2,(H,22,25)/t16-/m1/s1.
What are the key properties of 3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 92619483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).