[(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone

C22H25NO5S — CID 23760564

IUPAC[(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
SMILESO=C(C1=C[C@@H](c2cccs2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCOCC1
InChIInChI=1S/C22H25NO5S/c24-14-16-3-5-17(6-4-16)15-27-21-13-18(20-2-1-11-29-20)12-19(28-21)22(25)23-7-9-26-10-8-23/h1-6,11-12,18,21,24H,7-10,13-15H2/t18-,21+/m1/s1
InChIKeyFCBIICRSYXOXHP-NQIIRXRSSA-N
MW415.51 g/mol
LogP3.03
Rot. Bonds6

About [(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone

[(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (PubChem CID 23760564) has the molecular formula C22H25NO5S and a molecular weight of 415.51 g/mol. Its IUPAC name is [(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
PubChem CID23760564
Molecular FormulaC22H25NO5S
Molecular Weight415.51 g/mol
Exact Mass415.15
IUPAC Name[(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
SMILESO=C(C1=C[C@@H](c2cccs2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCOCC1
InChIInChI=1S/C22H25NO5S/c24-14-16-3-5-17(6-4-16)15-27-21-13-18(20-2-1-11-29-20)12-19(28-21)22(25)23-7-9-26-10-8-23/h1-6,11-12,18,21,24H,7-10,13-15H2/t18-,21+/m1/s1
InChIKeyFCBIICRSYXOXHP-NQIIRXRSSA-N
XLogP3.03
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (CID 23760564) is [(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone is O=C(C1=C[C@@H](c2cccs2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCOCC1.
What is the InChIKey of [(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The InChIKey is FCBIICRSYXOXHP-NQIIRXRSSA-N. The full InChI is InChI=1S/C22H25NO5S/c24-14-16-3-5-17(6-4-16)15-27-21-13-18(20-2-1-11-29-20)12-19(28-21)22(25)23-7-9-26-10-8-23/h1-6,11-12,18,21,24H,7-10,13-15H2/t18-,21+/m1/s1.
What are the key properties of [(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
[(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone has a molecular weight of 415.51 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 23760564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).