[2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone

C20H23ClN2O4S2 — CID 55948021

IUPAC[2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone
SMILESO=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClN2O4S2/c21-16-6-4-15(5-7-16)17-14-22(11-12-27-17)20(24)19-18(8-13-28-19)29(25,26)23-9-2-1-3-10-23/h4-8,13,17H,1-3,9-12,14H2
InChIKeyFWDXVPJCOCGLDM-UHFFFAOYSA-N
MW455.00 g/mol
LogP3.79
Rot. Bonds4

About [2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone

[2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone (PubChem CID 55948021) has the molecular formula C20H23ClN2O4S2 and a molecular weight of 455.00 g/mol. Its IUPAC name is [2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone
PubChem CID55948021
Molecular FormulaC20H23ClN2O4S2
Molecular Weight455.00 g/mol
Exact Mass454.08
IUPAC Name[2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone
SMILESO=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClN2O4S2/c21-16-6-4-15(5-7-16)17-14-22(11-12-27-17)20(24)19-18(8-13-28-19)29(25,26)23-9-2-1-3-10-23/h4-8,13,17H,1-3,9-12,14H2
InChIKeyFWDXVPJCOCGLDM-UHFFFAOYSA-N
XLogP3.79
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.00
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 55947377
piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 51338450
[2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone
CID 55947755
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 37209168
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
(4-methylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 134033914
(4-chlorophenyl) 3-piperidin-1-ylsulfonylthiophene-2-carboxylate
CID 43036337
[3-(aminomethyl)pyrrolidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119483874
[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119488448
(3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56579291
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone
CID 95197348
2,2-dimethyl-1-[4-(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 55588563

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone (CID 55948021) is [2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone is O=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of [2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone?
The InChIKey is FWDXVPJCOCGLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S2/c21-16-6-4-15(5-7-16)17-14-22(11-12-27-17)20(24)19-18(8-13-28-19)29(25,26)23-9-2-1-3-10-23/h4-8,13,17H,1-3,9-12,14H2.
What are the key properties of [2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone?
[2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone has a molecular weight of 455.00 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)morpholin-4-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone is sourced from PubChem (CID 55948021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).