2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide

C17H26N2O3S — CID 42541715

IUPAC2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide
SMILESCOCC(=O)NC[C@@H](C)Oc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C17H26N2O3S/c1-14(11-18-17(20)13-21-2)22-16-5-3-4-15(10-16)12-19-6-8-23-9-7-19/h3-5,10,14H,6-9,11-13H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyXLWVKFWSWLTQQW-CQSZACIVSA-N
MW338.47 g/mol
LogP1.77
Rot. Bonds8

About 2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide

2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide (PubChem CID 42541715) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide
PubChem CID42541715
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide
SMILESCOCC(=O)NC[C@@H](C)Oc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C17H26N2O3S/c1-14(11-18-17(20)13-21-2)22-16-5-3-4-15(10-16)12-19-6-8-23-9-7-19/h3-5,10,14H,6-9,11-13H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyXLWVKFWSWLTQQW-CQSZACIVSA-N
XLogP1.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide
CID 45249485
(E)-3-(3-fluorophenyl)-N-[(2S)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]prop-2-enamide
CID 42380029
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
2-methoxy-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 70559206
N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide
CID 71994274
2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 56903739
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 165435270
1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 49119455
N-[(2R)-2-[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenoxy]propyl]-2-piperidin-1-ylacetamide
CID 42163229
methyl 4-(thiomorpholin-4-ylmethyl)benzoate
CID 10106210
4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120645739
2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 49005209

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide?
The IUPAC name of 2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide (CID 42541715) is 2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide is COCC(=O)NC[C@@H](C)Oc1cccc(CN2CCSCC2)c1.
What is the InChIKey of 2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide?
The InChIKey is XLWVKFWSWLTQQW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14(11-18-17(20)13-21-2)22-16-5-3-4-15(10-16)12-19-6-8-23-9-7-19/h3-5,10,14H,6-9,11-13H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide?
2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide has a molecular weight of 338.47 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide is sourced from PubChem (CID 42541715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).