2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone

C18H22N2O4S3 — CID 40987261

IUPAC2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C18H22N2O4S3/c21-17(20-7-1-3-15(20)16-4-2-12-25-16)13-14-5-6-18(26-14)27(22,23)19-8-10-24-11-9-19/h2,4-6,12,15H,1,3,7-11,13H2/t15-/m1/s1
InChIKeyLCMSBGHDAGUQBI-OAHLLOKOSA-N
MW426.59 g/mol
LogP2.74
Rot. Bonds5

About 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone

2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone (PubChem CID 40987261) has the molecular formula C18H22N2O4S3 and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
PubChem CID40987261
Molecular FormulaC18H22N2O4S3
Molecular Weight426.59 g/mol
Exact Mass426.07
IUPAC Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C18H22N2O4S3/c21-17(20-7-1-3-15(20)16-4-2-12-25-16)13-14-5-6-18(26-14)27(22,23)19-8-10-24-11-9-19/h2,4-6,12,15H,1,3,7-11,13H2/t15-/m1/s1
InChIKeyLCMSBGHDAGUQBI-OAHLLOKOSA-N
XLogP2.74
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 97184917
(3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 8916314
1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 25362514
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone;hydrochloride
CID 119633329
1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 55496650
1-(2-ethylpiperidin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 112760227
1-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 60604851
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 26003172
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 17474274
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119650907
1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522198
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 62039896

Frequently Asked Questions

What is the IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone (CID 40987261) is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
The InChIKey is LCMSBGHDAGUQBI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2O4S3/c21-17(20-7-1-3-15(20)16-4-2-12-25-16)13-14-5-6-18(26-14)27(22,23)19-8-10-24-11-9-19/h2,4-6,12,15H,1,3,7-11,13H2/t15-/m1/s1.
What are the key properties of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone has a molecular weight of 426.59 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 40987261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).