N-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide

C18H22N2O2S — CID 84593620

IUPACN-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CN1CCSCC1c1ccc(C)o1
InChIInChI=1S/C18H22N2O2S/c1-13-7-8-18(22-13)17-12-23-10-9-20(17)11-15-5-3-4-6-16(15)19-14(2)21/h3-8,17H,9-12H2,1-2H3,(H,19,21)
InChIKeyKVIIHFZWYCQTEJ-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.84
Rot. Bonds4

About N-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide

N-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide (PubChem CID 84593620) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide
PubChem CID84593620
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CN1CCSCC1c1ccc(C)o1
InChIInChI=1S/C18H22N2O2S/c1-13-7-8-18(22-13)17-12-23-10-9-20(17)11-15-5-3-4-6-16(15)19-14(2)21/h3-8,17H,9-12H2,1-2H3,(H,19,21)
InChIKeyKVIIHFZWYCQTEJ-UHFFFAOYSA-N
XLogP3.84
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide
CID 96517564
1-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-2-(2-nitrophenyl)ethanone
CID 96568702
5-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]furan-2-carbonitrile
CID 97160353
2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone
CID 96517769
2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 96832396
N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 96568744
1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 96517758
4-[(5-methylfuran-2-yl)methyl]thiomorpholine-3-carboxylic acid
CID 82906613
N-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide
CID 72875097
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
N-[2-(5-methylfuran-2-yl)phenyl]acetamide
CID 646782

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide (CID 84593620) is N-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CN1CCSCC1c1ccc(C)o1.
What is the InChIKey of N-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide?
The InChIKey is KVIIHFZWYCQTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-7-8-18(22-13)17-12-23-10-9-20(17)11-15-5-3-4-6-16(15)19-14(2)21/h3-8,17H,9-12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide?
N-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 84593620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).