N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide

C18H25N3O3S — CID 119936357

IUPACN-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H25N3O3S/c22-17(12-16-13-25-10-5-19-16)20-15-3-1-14(2-4-15)11-18(23)21-6-8-24-9-7-21/h1-4,16,19H,5-13H2,(H,20,22)
InChIKeyDHEZYLCEIFHPGS-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.12
Rot. Bonds5

About N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide

N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119936357) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119936357
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H25N3O3S/c22-17(12-16-13-25-10-5-19-16)20-15-3-1-14(2-4-15)11-18(23)21-6-8-24-9-7-21/h1-4,16,19H,5-13H2,(H,20,22)
InChIKeyDHEZYLCEIFHPGS-UHFFFAOYSA-N
XLogP1.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-morpholin-4-ylethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941502
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940974
N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66423032
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942534
N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119934956
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119936677
N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941468
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940823
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940783
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935848
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119936357) is N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1ccc(CC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is DHEZYLCEIFHPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c22-17(12-16-13-25-10-5-19-16)20-15-3-1-14(2-4-15)11-18(23)21-6-8-24-9-7-21/h1-4,16,19H,5-13H2,(H,20,22).
What are the key properties of N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 363.48 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119936357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).