4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide

C18H26N2O4S — CID 136527534

IUPAC4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide
SMILESCCN(C(=O)C1CN(Cc2ccccc2)CCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O4S/c1-2-20(16-8-11-25(22,23)14-16)18(21)17-13-19(9-10-24-17)12-15-6-4-3-5-7-15/h3-7,16-17H,2,8-14H2,1H3
InChIKeyLWTIOHAEMYSEDG-UHFFFAOYSA-N
MW366.48 g/mol
LogP0.92
Rot. Bonds5

About 4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide

4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide (PubChem CID 136527534) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide
PubChem CID136527534
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide
SMILESCCN(C(=O)C1CN(Cc2ccccc2)CCO1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O4S/c1-2-20(16-8-11-25(22,23)14-16)18(21)17-13-19(9-10-24-17)12-15-6-4-3-5-7-15/h3-7,16-17H,2,8-14H2,1H3
InChIKeyLWTIOHAEMYSEDG-UHFFFAOYSA-N
XLogP0.92
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide
CID 111596452
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 55382251
2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
CID 119359267
4-benzyl-N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide
CID 16755584
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 41166002
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
1-benzyl-3-(1,1-dioxothiolan-3-yl)-1,3-diethylurea
CID 108988980
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 125138754
4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide
CID 161414096
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylcyclopropane-1-carboxamide
CID 110675464
2-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxoacetamide
CID 108507032

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide?
The IUPAC name of 4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide (CID 136527534) is 4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide?
The canonical SMILES for 4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide is CCN(C(=O)C1CN(Cc2ccccc2)CCO1)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide?
The InChIKey is LWTIOHAEMYSEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-2-20(16-8-11-25(22,23)14-16)18(21)17-13-19(9-10-24-17)12-15-6-4-3-5-7-15/h3-7,16-17H,2,8-14H2,1H3.
What are the key properties of 4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide?
4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(1,1-dioxothiolan-3-yl)-N-ethylmorpholine-2-carboxamide is sourced from PubChem (CID 136527534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).