N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide

C18H26N2O2S — CID 119936439

IUPACN-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCc1ccccc1OC1CCCC1
InChIInChI=1S/C18H26N2O2S/c21-18(11-15-13-23-10-9-19-15)20-12-14-5-1-4-8-17(14)22-16-6-2-3-7-16/h1,4-5,8,15-16,19H,2-3,6-7,9-13H2,(H,20,21)
InChIKeyOPSDIHSYQPEFQI-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.72
Rot. Bonds6

About N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide

N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119936439) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119936439
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCc1ccccc1OC1CCCC1
InChIInChI=1S/C18H26N2O2S/c21-18(11-15-13-23-10-9-19-15)20-12-14-5-1-4-8-17(14)22-16-6-2-3-7-16/h1,4-5,8,15-16,19H,2-3,6-7,9-13H2,(H,20,21)
InChIKeyOPSDIHSYQPEFQI-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939815
N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935910
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938758
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119940864
N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119938875
N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119937162
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 119940156
N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807
N-[(2-cyclobutyloxyphenyl)methyl]-2-(methylamino)acetamide
CID 119796176

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide (CID 119936439) is N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCc1ccccc1OC1CCCC1.
What is the InChIKey of N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is OPSDIHSYQPEFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-18(11-15-13-23-10-9-19-15)20-12-14-5-1-4-8-17(14)22-16-6-2-3-7-16/h1,4-5,8,15-16,19H,2-3,6-7,9-13H2,(H,20,21).
What are the key properties of N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 334.49 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119936439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).