N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide

C15H18N2O2S — CID 99940782

IUPACN-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide
SMILESO=C(C[C@H]1CNCCO1)NCc1ccc2sccc2c1
InChIInChI=1S/C15H18N2O2S/c18-15(8-13-10-16-4-5-19-13)17-9-11-1-2-14-12(7-11)3-6-20-14/h1-3,6-7,13,16H,4-5,8-10H2,(H,17,18)/t13-/m0/s1
InChIKeyPJAQRHWJNIYTGE-ZDUSSCGKSA-N
MW290.39 g/mol
LogP1.90
Rot. Bonds4

About N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide

N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide (PubChem CID 99940782) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide
PubChem CID99940782
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide
SMILESO=C(C[C@H]1CNCCO1)NCc1ccc2sccc2c1
InChIInChI=1S/C15H18N2O2S/c18-15(8-13-10-16-4-5-19-13)17-9-11-1-2-14-12(7-11)3-6-20-14/h1-3,6-7,13,16H,4-5,8-10H2,(H,17,18)/t13-/m0/s1
InChIKeyPJAQRHWJNIYTGE-ZDUSSCGKSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66434532
N-[(3-fluoro-4-methylphenyl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119697510
2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide
CID 66426771
2-morpholin-2-yl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81170232
N-(1,3-benzothiazol-2-ylmethyl)-2-[(2R)-morpholin-2-yl]acetamide
CID 124515478
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 154906934
N-[(2-hydroxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 114332328
2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide
CID 119701228
2-morpholin-2-yl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 118769258
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide
CID 66429190
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 125174979
N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119730032

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide?
The IUPAC name of N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide (CID 99940782) is N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide.
What is the SMILES notation for N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide?
The canonical SMILES for N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide is O=C(C[C@H]1CNCCO1)NCc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide?
The InChIKey is PJAQRHWJNIYTGE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-15(8-13-10-16-4-5-19-13)17-9-11-1-2-14-12(7-11)3-6-20-14/h1-3,6-7,13,16H,4-5,8-10H2,(H,17,18)/t13-/m0/s1.
What are the key properties of N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide?
N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide has a molecular weight of 290.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide is sourced from PubChem (CID 99940782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).