2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone

C19H21NO4S2 — CID 8673493

IUPAC2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(SCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C19H21NO4S2/c1-23-14-2-4-15(5-3-14)25-13-17(21)18-7-6-16(26-18)12-19(22)20-8-10-24-11-9-20/h2-7H,8-13H2,1H3
InChIKeyJKQLLMAACYEGFH-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.13
Rot. Bonds7

About 2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone

2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone (PubChem CID 8673493) has the molecular formula C19H21NO4S2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone
PubChem CID8673493
Molecular FormulaC19H21NO4S2
Molecular Weight391.51 g/mol
Exact Mass391.09
IUPAC Name2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(SCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C19H21NO4S2/c1-23-14-2-4-15(5-3-14)25-13-17(21)18-7-6-16(26-18)12-19(22)20-8-10-24-11-9-20/h2-7H,8-13H2,1H3
InChIKeyJKQLLMAACYEGFH-UHFFFAOYSA-N
XLogP3.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[5-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]-1-morpholin-4-ylethanone
CID 7486900
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 42908172
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7488735
[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,6-difluorobenzoate
CID 7628066
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 43222169
2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24613666
[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7774827
2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 54911266
3-[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7488076
2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 16644546
(2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 28632965

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone (CID 8673493) is 2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone is COc1ccc(SCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)cc1.
What is the InChIKey of 2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is JKQLLMAACYEGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S2/c1-23-14-2-4-15(5-3-14)25-13-17(21)18-7-6-16(26-18)12-19(22)20-8-10-24-11-9-20/h2-7H,8-13H2,1H3.
What are the key properties of 2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone?
2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 391.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 8673493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).