[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone

C17H19NO3S — CID 70063959

IUPAC[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone
SMILESCOc1cc(C(=O)c2ccsc2)ccc1CN1CCOCC1
InChIInChI=1S/C17H19NO3S/c1-20-16-10-13(17(19)15-4-9-22-12-15)2-3-14(16)11-18-5-7-21-8-6-18/h2-4,9-10,12H,5-8,11H2,1H3
InChIKeyMZHDMMFONDDOGO-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.82
Rot. Bonds5

About [3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone

[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone (PubChem CID 70063959) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is [3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone
PubChem CID70063959
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone
SMILESCOc1cc(C(=O)c2ccsc2)ccc1CN1CCOCC1
InChIInChI=1S/C17H19NO3S/c1-20-16-10-13(17(19)15-4-9-22-12-15)2-3-14(16)11-18-5-7-21-8-6-18/h2-4,9-10,12H,5-8,11H2,1H3
InChIKeyMZHDMMFONDDOGO-UHFFFAOYSA-N
XLogP2.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
CID 143409868
3-ethoxy-4-(morpholin-4-ylmethyl)benzamide
CID 68978840
2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid
CID 117447646
3-methoxy-4-(piperidin-1-ylmethyl)benzoic acid
CID 117219368
methyl 3-(3-bromopropoxy)-4-(morpholin-4-ylmethyl)benzoate
CID 67530674
7,13-bis[(2-methoxy-4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane
CID 72950986
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone
CID 149139518
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
(2-methoxyphenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724219
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone
CID 43626586
(E)-3-(3,4-dimethoxyphenyl)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one
CID 8830206

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone?
The IUPAC name of [3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone (CID 70063959) is [3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone is COc1cc(C(=O)c2ccsc2)ccc1CN1CCOCC1.
What is the InChIKey of [3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone?
The InChIKey is MZHDMMFONDDOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-20-16-10-13(17(19)15-4-9-22-12-15)2-3-14(16)11-18-5-7-21-8-6-18/h2-4,9-10,12H,5-8,11H2,1H3.
What are the key properties of [3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone?
[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone has a molecular weight of 317.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone is sourced from PubChem (CID 70063959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).