[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone

C20H25N3O5S2 — CID 50777841

IUPAC[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)N4CCOCC4)cs3)CC2)cc1
InChIInChI=1S/C20H25N3O5S2/c1-27-18-4-2-17(3-5-18)21-6-8-23(9-7-21)30(25,26)19-14-16(15-29-19)20(24)22-10-12-28-13-11-22/h2-5,14-15H,6-13H2,1H3
InChIKeyUKZMIRJCHJWRKZ-UHFFFAOYSA-N
MW451.57 g/mol
LogP1.74
Rot. Bonds5

About [5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone

[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone (PubChem CID 50777841) has the molecular formula C20H25N3O5S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is [5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone
PubChem CID50777841
Molecular FormulaC20H25N3O5S2
Molecular Weight451.57 g/mol
Exact Mass451.12
IUPAC Name[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)N4CCOCC4)cs3)CC2)cc1
InChIInChI=1S/C20H25N3O5S2/c1-27-18-4-2-17(3-5-18)21-6-8-23(9-7-21)30(25,26)19-14-16(15-29-19)20(24)22-10-12-28-13-11-22/h2-5,14-15H,6-13H2,1H3
InChIKeyUKZMIRJCHJWRKZ-UHFFFAOYSA-N
XLogP1.74
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50777628
morpholin-4-yl-(5-piperidin-1-ylsulfonylthiophen-3-yl)methanone
CID 50777436
[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184633
N-(4-methoxyphenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53006794
(3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 53005346
(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918278
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[4-(azepan-1-ylsulfonyl)phenyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918401
[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone
CID 53010018
(3-chlorothiophen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110856426
[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 50777756
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230

Frequently Asked Questions

What is the IUPAC name of [5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone (CID 50777841) is [5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone is COc1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)N4CCOCC4)cs3)CC2)cc1.
What is the InChIKey of [5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone?
The InChIKey is UKZMIRJCHJWRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S2/c1-27-18-4-2-17(3-5-18)21-6-8-23(9-7-21)30(25,26)19-14-16(15-29-19)20(24)22-10-12-28-13-11-22/h2-5,14-15H,6-13H2,1H3.
What are the key properties of [5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone?
[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone has a molecular weight of 451.57 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50777841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).