N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C19H29ClN2O3S — CID 119938758

IUPACN-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CC2CSCCN2)cc1OC1CCCC1.Cl
InChIInChI=1S/C19H28N2O3S.ClH/c1-23-17-7-6-14(10-18(17)24-16-4-2-3-5-16)12-21-19(22)11-15-13-25-9-8-20-15;/h6-7,10,15-16,20H,2-5,8-9,11-13H2,1H3,(H,21,22);1H
InChIKeySWKQBPOVIOLCRK-UHFFFAOYSA-N
MW400.97 g/mol
LogP3.15
Rot. Bonds7

About N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119938758) has the molecular formula C19H29ClN2O3S and a molecular weight of 400.97 g/mol. Its IUPAC name is N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119938758
Molecular FormulaC19H29ClN2O3S
Molecular Weight400.97 g/mol
Exact Mass400.16
IUPAC NameN-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CC2CSCCN2)cc1OC1CCCC1.Cl
InChIInChI=1S/C19H28N2O3S.ClH/c1-23-17-7-6-14(10-18(17)24-16-4-2-3-5-16)12-21-19(22)11-15-13-25-9-8-20-15;/h6-7,10,15-16,20H,2-5,8-9,11-13H2,1H3,(H,21,22);1H
InChIKeySWKQBPOVIOLCRK-UHFFFAOYSA-N
XLogP3.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.97
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936443
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939815
N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119936439
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938762
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938870
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119937973
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630974
N-[(3-ethoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936440
N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 119940156
2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119935770
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119938758) is N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is COc1ccc(CNC(=O)CC2CSCCN2)cc1OC1CCCC1.Cl.
What is the InChIKey of N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is SWKQBPOVIOLCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S.ClH/c1-23-17-7-6-14(10-18(17)24-16-4-2-3-5-16)12-21-19(22)11-15-13-25-9-8-20-15;/h6-7,10,15-16,20H,2-5,8-9,11-13H2,1H3,(H,21,22);1H.
What are the key properties of N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 400.97 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119938758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).