N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide

C13H19ClN2O3S — CID 79832873

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CN1CCOC(CO)C1
InChIInChI=1S/C13H19ClN2O3S/c1-15(7-11-2-3-12(14)20-11)13(18)8-16-4-5-19-10(6-16)9-17/h2-3,10,17H,4-9H2,1H3
InChIKeyFMYJWRQNHIGHRN-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.05
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide (PubChem CID 79832873) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide
PubChem CID79832873
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CN1CCOC(CO)C1
InChIInChI=1S/C13H19ClN2O3S/c1-15(7-11-2-3-12(14)20-11)13(18)8-16-4-5-19-10(6-16)9-17/h2-3,10,17H,4-9H2,1H3
InChIKeyFMYJWRQNHIGHRN-UHFFFAOYSA-N
XLogP1.05
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylacetamide
CID 95757813
N-[(5-chlorothiophen-2-yl)methyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-methylacetamide
CID 79410702
N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide
CID 62918194
2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 103577273
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79834457
2-[2-(hydroxymethyl)morpholin-4-yl]-N-methyl-N-phenylacetamide
CID 79833459
2-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 30957750
1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796615
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dihydroindol-1-yl)-N-methylacetamide
CID 112799700
N-cyclopropyl-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide
CID 79833048
N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 62467093
N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide
CID 61438456

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide (CID 79832873) is N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide is CN(Cc1ccc(Cl)s1)C(=O)CN1CCOC(CO)C1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide?
The InChIKey is FMYJWRQNHIGHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-15(7-11-2-3-12(14)20-11)13(18)8-16-4-5-19-10(6-16)9-17/h2-3,10,17H,4-9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide has a molecular weight of 318.83 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide is sourced from PubChem (CID 79832873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).