N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide

C17H23N3O3S — CID 119935877

IUPACN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1cc(NC(=O)CC2CSCCN2)ccc1N1CCCC1=O
InChIInChI=1S/C17H23N3O3S/c1-23-15-9-12(4-5-14(15)20-7-2-3-17(20)22)19-16(21)10-13-11-24-8-6-18-13/h4-5,9,13,18H,2-3,6-8,10-11H2,1H3,(H,19,21)
InChIKeyQXHUWSJJJADTAA-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.86
Rot. Bonds5

About N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119935877) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119935877
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1cc(NC(=O)CC2CSCCN2)ccc1N1CCCC1=O
InChIInChI=1S/C17H23N3O3S/c1-23-15-9-12(4-5-14(15)20-7-2-3-17(20)22)19-16(21)10-13-11-24-8-6-18-13/h4-5,9,13,18H,2-3,6-8,10-11H2,1H3,(H,19,21)
InChIKeyQXHUWSJJJADTAA-UHFFFAOYSA-N
XLogP1.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935481
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119935630
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935667
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936558
N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
(2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide
CID 119699368
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940096
N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119939619
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686701
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942278
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
CID 30679370

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119935877) is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide is COc1cc(NC(=O)CC2CSCCN2)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is QXHUWSJJJADTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-23-15-9-12(4-5-14(15)20-7-2-3-17(20)22)19-16(21)10-13-11-24-8-6-18-13/h4-5,9,13,18H,2-3,6-8,10-11H2,1H3,(H,19,21).
What are the key properties of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 349.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119935877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).