N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide

C18H26N2O3S — CID 119937517

IUPACN-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1ccc(NC(=O)CC2CSCCN2)c(OCC2CCCO2)c1
InChIInChI=1S/C18H26N2O3S/c1-13-4-5-16(17(9-13)23-11-15-3-2-7-22-15)20-18(21)10-14-12-24-8-6-19-14/h4-5,9,14-15,19H,2-3,6-8,10-12H2,1H3,(H,20,21)
InChIKeyNLIOITFYEIDPOP-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.59
Rot. Bonds6

About N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide

N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119937517) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119937517
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1ccc(NC(=O)CC2CSCCN2)c(OCC2CCCO2)c1
InChIInChI=1S/C18H26N2O3S/c1-13-4-5-16(17(9-13)23-11-15-3-2-7-22-15)20-18(21)10-14-12-24-8-6-19-14/h4-5,9,14-15,19H,2-3,6-8,10-12H2,1H3,(H,20,21)
InChIKeyNLIOITFYEIDPOP-UHFFFAOYSA-N
XLogP2.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938950
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936367
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936406
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924
7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide
CID 119743232
N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide
CID 119940311
1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95259007
4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 119300251
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid
CID 129466833
N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939630

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119937517) is N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide is Cc1ccc(NC(=O)CC2CSCCN2)c(OCC2CCCO2)c1.
What is the InChIKey of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is NLIOITFYEIDPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-13-4-5-16(17(9-13)23-11-15-3-2-7-22-15)20-18(21)10-14-12-24-8-6-19-14/h4-5,9,14-15,19H,2-3,6-8,10-12H2,1H3,(H,20,21).
What are the key properties of N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 350.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).