2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone

C22H28N4O4S — CID 24598564

IUPAC2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1
InChIInChI=1S/C22H28N4O4S/c1-18-2-4-19(5-3-18)16-22(27)25-10-8-24(9-11-25)21-7-6-20(17-23-21)31(28,29)26-12-14-30-15-13-26/h2-7,17H,8-16H2,1H3
InChIKeyLWHOYOGQCUDHRY-UHFFFAOYSA-N
MW444.56 g/mol
LogP1.30
Rot. Bonds5

About 2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone

2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 24598564) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
PubChem CID24598564
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1
InChIInChI=1S/C22H28N4O4S/c1-18-2-4-19(5-3-18)16-22(27)25-10-8-24(9-11-25)21-7-6-20(17-23-21)31(28,29)26-12-14-30-15-13-26/h2-7,17H,8-16H2,1H3
InChIKeyLWHOYOGQCUDHRY-UHFFFAOYSA-N
XLogP1.30
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxy-4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598602
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 24668697
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 43039440
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 24598601
(4-ethyl-5-methylthiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 24584459
2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24613666
(4-methylphenyl)-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 60505605
N-(5-methyl-1,2-oxazol-3-yl)-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxamide
CID 24612405
(3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 24613677
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 24595656

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone (CID 24598564) is 2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone is Cc1ccc(CC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is LWHOYOGQCUDHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-18-2-4-19(5-3-18)16-22(27)25-10-8-24(9-11-25)21-7-6-20(17-23-21)31(28,29)26-12-14-30-15-13-26/h2-7,17H,8-16H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone?
2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 444.56 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 24598564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).