(3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C19H23N3O6S3 — CID 2542470

IUPAC(3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H23N3O6S3/c23-19(20-6-8-21(9-7-20)31(26,27)18-5-2-14-29-18)16-3-1-4-17(15-16)30(24,25)22-10-12-28-13-11-22/h1-5,14-15H,6-13H2
InChIKeyMXKGNWBBBSAFPM-UHFFFAOYSA-N
MW485.61 g/mol
LogP0.92
Rot. Bonds5

About (3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

(3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 2542470) has the molecular formula C19H23N3O6S3 and a molecular weight of 485.61 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID2542470
Molecular FormulaC19H23N3O6S3
Molecular Weight485.61 g/mol
Exact Mass485.07
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H23N3O6S3/c23-19(20-6-8-21(9-7-20)31(26,27)18-5-2-14-29-18)16-3-1-4-17(15-16)30(24,25)22-10-12-28-13-11-22/h1-5,14-15H,6-13H2
InChIKeyMXKGNWBBBSAFPM-UHFFFAOYSA-N
XLogP0.92
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068388
(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402219
[3-(1,4-oxazepan-4-ylsulfonyl)phenyl]-thiomorpholin-4-ylmethanone
CID 72916871
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-morpholin-4-ylmethanone
CID 46585758
(3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 8916314
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 2326568
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
(3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217500
[3-[[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]sulfonyl]phenyl]-morpholin-4-ylmethanone
CID 72879903
(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217513
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 2542470) is (3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is MXKGNWBBBSAFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S3/c23-19(20-6-8-21(9-7-20)31(26,27)18-5-2-14-29-18)16-3-1-4-17(15-16)30(24,25)22-10-12-28-13-11-22/h1-5,14-15H,6-13H2.
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
(3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 485.61 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 2542470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).