N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C20H30ClN3O3S — CID 119940371

IUPACN-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C20H29N3O3S.ClH/c1-2-26-18-7-6-15(20(25)23-9-4-3-5-10-23)12-17(18)22-19(24)13-16-14-27-11-8-21-16;/h6-7,12,16,21H,2-5,8-11,13-14H2,1H3,(H,22,24);1H
InChIKeyBLMYTVXRZRFRLG-UHFFFAOYSA-N
MW428.00 g/mol
LogP3.17
Rot. Bonds6

About N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119940371) has the molecular formula C20H30ClN3O3S and a molecular weight of 428.00 g/mol. Its IUPAC name is N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119940371
Molecular FormulaC20H30ClN3O3S
Molecular Weight428.00 g/mol
Exact Mass427.17
IUPAC NameN-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C20H29N3O3S.ClH/c1-2-26-18-7-6-15(20(25)23-9-4-3-5-10-23)12-17(18)22-19(24)13-16-14-27-11-8-21-16;/h6-7,12,16,21H,2-5,8-11,13-14H2,1H3,(H,22,24);1H
InChIKeyBLMYTVXRZRFRLG-UHFFFAOYSA-N
XLogP3.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.00
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938014
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119941665
N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938692
4-amino-N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-3-methoxybutanamide;hydrochloride
CID 120594111
N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119937230
N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
ethyl 4-(ethylamino)-3-[(2-thiomorpholin-3-ylacetyl)amino]benzoate
CID 119934972
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942278
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
N-(5-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61364064
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119935157
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936443

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119940371) is N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is BLMYTVXRZRFRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S.ClH/c1-2-26-18-7-6-15(20(25)23-9-4-3-5-10-23)12-17(18)22-19(24)13-16-14-27-11-8-21-16;/h6-7,12,16,21H,2-5,8-11,13-14H2,1H3,(H,22,24);1H.
What are the key properties of N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 428.00 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119940371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).