(3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone

C23H26N4O4S2 — CID 24613677

IUPAC(3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)sc2ccccc12
InChIInChI=1S/C23H26N4O4S2/c1-17-19-4-2-3-5-20(19)32-22(17)23(28)26-10-8-25(9-11-26)21-7-6-18(16-24-21)33(29,30)27-12-14-31-15-13-27/h2-7,16H,8-15H2,1H3
InChIKeyMHDPFOMHVZRJQV-UHFFFAOYSA-N
MW486.62 g/mol
LogP2.59
Rot. Bonds4

About (3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone

(3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 24613677) has the molecular formula C23H26N4O4S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is (3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID24613677
Molecular FormulaC23H26N4O4S2
Molecular Weight486.62 g/mol
Exact Mass486.14
IUPAC Name(3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)sc2ccccc12
InChIInChI=1S/C23H26N4O4S2/c1-17-19-4-2-3-5-20(19)32-22(17)23(28)26-10-8-25(9-11-26)21-7-6-18(16-24-21)33(29,30)27-12-14-31-15-13-27/h2-7,16H,8-15H2,1H3
InChIKeyMHDPFOMHVZRJQV-UHFFFAOYSA-N
XLogP2.59
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-ethyl-5-methylthiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 24584459
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598564
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
CID 51966024
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 24552291
N-(5-methyl-1,2-oxazol-3-yl)-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxamide
CID 24612405
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-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 24668697
4-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9186566
(4-methylphenyl)-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 60505605

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone (CID 24613677) is (3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone is Cc1c(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)sc2ccccc12.
What is the InChIKey of (3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is MHDPFOMHVZRJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S2/c1-17-19-4-2-3-5-20(19)32-22(17)23(28)26-10-8-25(9-11-26)21-7-6-18(16-24-21)33(29,30)27-12-14-31-15-13-27/h2-7,16H,8-15H2,1H3.
What are the key properties of (3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone?
(3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 486.62 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzothiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24613677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).