N-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C15H22N2O3S2 — CID 47888416

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCCc1ccc(CNC(=O)CSCC(=O)N2CCOCC2)s1
InChIInChI=1S/C15H22N2O3S2/c1-2-12-3-4-13(22-12)9-16-14(18)10-21-11-15(19)17-5-7-20-8-6-17/h3-4H,2,5-11H2,1H3,(H,16,18)
InChIKeyYLEFLEYFHHENQE-UHFFFAOYSA-N
MW342.49 g/mol
LogP1.52
Rot. Bonds7

About N-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 47888416) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID47888416
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCCc1ccc(CNC(=O)CSCC(=O)N2CCOCC2)s1
InChIInChI=1S/C15H22N2O3S2/c1-2-12-3-4-13(22-12)9-16-14(18)10-21-11-15(19)17-5-7-20-8-6-17/h3-4H,2,5-11H2,1H3,(H,16,18)
InChIKeyYLEFLEYFHHENQE-UHFFFAOYSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 43388901
N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 113238668
2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66173764
N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55520263
N-[2-(ethylaminomethyl)phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119440673
N-(2-hydroxy-3-methylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 115701598
N-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60700799
(2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 107833509
2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66167023
N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 107318984
3-fluoro-4-methyl-N-[2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]ethyl]benzamide
CID 55545871
1-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 47888416) is N-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is CCc1ccc(CNC(=O)CSCC(=O)N2CCOCC2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is YLEFLEYFHHENQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c1-2-12-3-4-13(22-12)9-16-14(18)10-21-11-15(19)17-5-7-20-8-6-17/h3-4H,2,5-11H2,1H3,(H,16,18).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 342.49 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 47888416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).