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

C23H24N2O5S — CID 110251221

IUPACN-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(C(=O)N2CCOC(c3c(C(=O)NCCO)sc4ccccc34)C2)c1
InChIInChI=1S/C23H24N2O5S/c1-29-16-6-4-5-15(13-16)23(28)25-10-12-30-18(14-25)20-17-7-2-3-8-19(17)31-21(20)22(27)24-9-11-26/h2-8,13,18,26H,9-12,14H2,1H3,(H,24,27)
InChIKeyJVSUXDIKDALTOU-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.85
Rot. Bonds6

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

N-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 110251221) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID110251221
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(C(=O)N2CCOC(c3c(C(=O)NCCO)sc4ccccc34)C2)c1
InChIInChI=1S/C23H24N2O5S/c1-29-16-6-4-5-15(13-16)23(28)25-10-12-30-18(14-25)20-17-7-2-3-8-19(17)31-21(20)22(27)24-9-11-26/h2-8,13,18,26H,9-12,14H2,1H3,(H,24,27)
InChIKeyJVSUXDIKDALTOU-UHFFFAOYSA-N
XLogP2.85
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-3-[(2R)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618595
3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 92619483
3-[(2R)-4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 92619041
3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 110251209
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
3-[4-(1,5-dimethylpyrazole-4-carbonyl)morpholin-2-yl]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 110251310
N-(2-hydroxyethyl)-3-[1-(2-methoxy-3-methylbenzoyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 110251064
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
N-[2-(dimethylamino)ethyl]-3-[(2S)-4-(3-methylbutanoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92619609
3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide
CID 110251688
3-[4-(1-methyl-6-oxopyridine-3-carbonyl)morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 110251191

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide (CID 110251221) is N-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide is COc1cccc(C(=O)N2CCOC(c3c(C(=O)NCCO)sc4ccccc34)C2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is JVSUXDIKDALTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-29-16-6-4-5-15(13-16)23(28)25-10-12-30-18(14-25)20-17-7-2-3-8-19(17)31-21(20)22(27)24-9-11-26/h2-8,13,18,26H,9-12,14H2,1H3,(H,24,27).
What are the key properties of N-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?
N-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[4-(3-methoxybenzoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110251221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).