2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide

C25H26N2O4S — CID 31419969

IUPAC2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)NC[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C25H26N2O4S/c28-24(26-17-22(23-7-4-16-32-23)27-12-14-30-15-13-27)18-31-21-10-8-20(9-11-21)25(29)19-5-2-1-3-6-19/h1-11,16,22H,12-15,17-18H2,(H,26,28)/t22-/m0/s1
InChIKeySCVHELBATSOUKX-QFIPXVFZSA-N
MW450.56 g/mol
LogP3.55
Rot. Bonds9

About 2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide

2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide (PubChem CID 31419969) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
PubChem CID31419969
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC Name2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)NC[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C25H26N2O4S/c28-24(26-17-22(23-7-4-16-32-23)27-12-14-30-15-13-27)18-31-21-10-8-20(9-11-21)25(29)19-5-2-1-3-6-19/h1-11,16,22H,12-15,17-18H2,(H,26,28)/t22-/m0/s1
InChIKeySCVHELBATSOUKX-QFIPXVFZSA-N
XLogP3.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-phenoxyacetamide
CID 2316164
2-(4-acetylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 17405367
2-(4-methoxyphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 17014749
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34949327
2-(4-ethylphenoxy)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 34951723
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(4-nitrophenoxy)acetamide
CID 17014744
2-phenoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 34949998
2-(3-methoxyphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 30834421
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-phenylmethoxybenzamide
CID 2510532
N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide
CID 46578551
2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 26009692
3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide
CID 30606558

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide (CID 31419969) is 2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide is O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC[C@@H](c1cccs1)N1CCOCC1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide?
The InChIKey is SCVHELBATSOUKX-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H26N2O4S/c28-24(26-17-22(23-7-4-16-32-23)27-12-14-30-15-13-27)18-31-21-10-8-20(9-11-21)25(29)19-5-2-1-3-6-19/h1-11,16,22H,12-15,17-18H2,(H,26,28)/t22-/m0/s1.
What are the key properties of 2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide?
2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide has a molecular weight of 450.56 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 31419969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).