(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

C23H29N3O7S2 — CID 3947664

IUPAC(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H29N3O7S2/c1-18-3-6-20(7-4-18)34(28,29)25-11-9-24(10-12-25)23(27)19-5-8-21(32-2)22(17-19)35(30,31)26-13-15-33-16-14-26/h3-8,17H,9-16H2,1-2H3
InChIKeyWEQORELEWIVOTM-UHFFFAOYSA-N
MW523.63 g/mol
LogP1.17
Rot. Bonds6

About (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 3947664) has the molecular formula C23H29N3O7S2 and a molecular weight of 523.63 g/mol. Its IUPAC name is (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID3947664
Molecular FormulaC23H29N3O7S2
Molecular Weight523.63 g/mol
Exact Mass523.14
IUPAC Name(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H29N3O7S2/c1-18-3-6-20(7-4-18)34(28,29)25-11-9-24(10-12-25)23(27)19-5-8-21(32-2)22(17-19)35(30,31)26-13-15-33-16-14-26/h3-8,17H,9-16H2,1-2H3
InChIKeyWEQORELEWIVOTM-UHFFFAOYSA-N
XLogP1.17
TPSA113.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.63
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

1-[(5-Chloro-2-methoxyphenyl)sulfonyl]-4-(4-methoxybenzoyl)piperazine
CID 3243820
4-Methoxy-3-(morpholin-4-ylsulfonyl)phenyl 4-phenylpiperazinyl ketone
CID 1087791
N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 1107083
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-morpholin-4-ylmethanone
CID 2096063
3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide
CID 2480845
[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2494767
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2999523
Ethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate
CID 3458759
4-((2,6-dimethylmorpholino)sulfonyl)-N'-(4-methoxybenzoyl)benzohydrazide
CID 4423007
4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 4587907
4-(dimethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 4878991
N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 8960790

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 3947664) is (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is WEQORELEWIVOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7S2/c1-18-3-6-20(7-4-18)34(28,29)25-11-9-24(10-12-25)23(27)19-5-8-21(32-2)22(17-19)35(30,31)26-13-15-33-16-14-26/h3-8,17H,9-16H2,1-2H3.
What are the key properties of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 523.63 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 3947664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).