1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone

C18H21NO5S2 — CID 9332969

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
SMILESCc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)s1
InChIInChI=1S/C18H21NO5S2/c1-13-11-17(14(2)25-13)18(20)12-24-15-3-5-16(6-4-15)26(21,22)19-7-9-23-10-8-19/h3-6,11H,7-10,12H2,1-2H3
InChIKeyONAFLFRNFQCSSP-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.65
Rot. Bonds6

About 1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone

1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone (PubChem CID 9332969) has the molecular formula C18H21NO5S2 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
PubChem CID9332969
Molecular FormulaC18H21NO5S2
Molecular Weight395.50 g/mol
Exact Mass395.09
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
SMILESCc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)s1
InChIInChI=1S/C18H21NO5S2/c1-13-11-17(14(2)25-13)18(20)12-24-15-3-5-16(6-4-15)26(21,22)19-7-9-23-10-8-19/h3-6,11H,7-10,12H2,1-2H3
InChIKeyONAFLFRNFQCSSP-UHFFFAOYSA-N
XLogP2.65
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9332581
1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9331575
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9331375
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 7604785
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide
CID 6491400
N-(2-hydroxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6491401
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 7741281
N-(2-methoxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2320120
4-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]sulfonylmorpholine
CID 39413047
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone (CID 9332969) is 1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone is Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
The InChIKey is ONAFLFRNFQCSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S2/c1-13-11-17(14(2)25-13)18(20)12-24-15-3-5-16(6-4-15)26(21,22)19-7-9-23-10-8-19/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone has a molecular weight of 395.50 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone is sourced from PubChem (CID 9332969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).