N-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C14H20N2O4S — CID 81197605

IUPACN-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCC1COC(CO)CN1C(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C14H20N2O4S/c1-10-9-20-11(8-17)6-16(10)13(18)7-15(2)14(19)12-4-3-5-21-12/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyAKLHIODSBGFTIJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.43
Rot. Bonds4

About N-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 81197605) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID81197605
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCC1COC(CO)CN1C(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C14H20N2O4S/c1-10-9-20-11(8-17)6-16(10)13(18)7-15(2)14(19)12-4-3-5-21-12/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyAKLHIODSBGFTIJ-UHFFFAOYSA-N
XLogP0.43
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61410795
(3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81219797
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 81208179
2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 115285671
N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide
CID 81209025
2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81207945
5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 122118795
N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119636972
2-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119195780
3-(3,4-difluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81196608
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 60586938

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 81197605) is N-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CC1COC(CO)CN1C(=O)CN(C)C(=O)c1cccs1.
What is the InChIKey of N-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is AKLHIODSBGFTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-9-20-11(8-17)6-16(10)13(18)7-15(2)14(19)12-4-3-5-21-12/h3-5,10-11,17H,6-9H2,1-2H3.
What are the key properties of N-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 81197605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).