N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide

C15H17ClN2O2S — CID 125174979

IUPACN-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide
SMILESO=C(C[C@H]1CNCCO1)NCc1sc2ccccc2c1Cl
InChIInChI=1S/C15H17ClN2O2S/c16-15-11-3-1-2-4-12(11)21-13(15)9-18-14(19)7-10-8-17-5-6-20-10/h1-4,10,17H,5-9H2,(H,18,19)/t10-/m0/s1
InChIKeyHPZJIZQBUZYHHS-JTQLQIEISA-N
MW324.83 g/mol
LogP2.55
Rot. Bonds4

About N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide

N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide (PubChem CID 125174979) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide
PubChem CID125174979
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide
SMILESO=C(C[C@H]1CNCCO1)NCc1sc2ccccc2c1Cl
InChIInChI=1S/C15H17ClN2O2S/c16-15-11-3-1-2-4-12(11)21-13(15)9-18-14(19)7-10-8-17-5-6-20-10/h1-4,10,17H,5-9H2,(H,18,19)/t10-/m0/s1
InChIKeyHPZJIZQBUZYHHS-JTQLQIEISA-N
XLogP2.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride
CID 154903609
N-(1,3-benzothiazol-2-ylmethyl)-2-[(2R)-morpholin-2-yl]acetamide
CID 124515478
N-[(2-hydroxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 114332328
2-morpholin-2-yl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81170232
N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119730032
N-[(5-ethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119727879
N-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide
CID 77082307
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide
CID 66429190
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide
CID 99940782
2-morpholin-2-yl-N-(2-phenylethyl)acetamide
CID 66434342
N-[(4-methoxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66434532

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide?
The IUPAC name of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide (CID 125174979) is N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide.
What is the SMILES notation for N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide?
The canonical SMILES for N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide is O=C(C[C@H]1CNCCO1)NCc1sc2ccccc2c1Cl.
What is the InChIKey of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide?
The InChIKey is HPZJIZQBUZYHHS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-15-11-3-1-2-4-12(11)21-13(15)9-18-14(19)7-10-8-17-5-6-20-10/h1-4,10,17H,5-9H2,(H,18,19)/t10-/m0/s1.
What are the key properties of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide?
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide has a molecular weight of 324.83 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide is sourced from PubChem (CID 125174979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).