[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone

C19H24N2O4S2 — CID 60567147

IUPAC[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3C(C)C)CC2)cc1
InChIInChI=1S/C19H24N2O4S2/c1-14(2)17-8-13-26-18(17)19(22)20-9-11-21(12-10-20)27(23,24)16-6-4-15(25-3)5-7-16/h4-8,13-14H,9-12H2,1-3H3
InChIKeySHZHHAIXKFYGPK-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.03
Rot. Bonds5

About [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone

[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone (PubChem CID 60567147) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone
PubChem CID60567147
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Name[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3C(C)C)CC2)cc1
InChIInChI=1S/C19H24N2O4S2/c1-14(2)17-8-13-26-18(17)19(22)20-9-11-21(12-10-20)27(23,24)16-6-4-15(25-3)5-7-16/h4-8,13-14H,9-12H2,1-3H3
InChIKeySHZHHAIXKFYGPK-UHFFFAOYSA-N
XLogP3.03
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
[4-(piperazine-1-carbonyl)piperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone
CID 166250594
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one
CID 9496484
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17191308
(2-hydroxy-4-methylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 34231889
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
CID 138810631
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646184
2-(4-methoxyphenyl)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 24686573
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 2031185
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 26203941

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone (CID 60567147) is [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3C(C)C)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone?
The InChIKey is SHZHHAIXKFYGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-14(2)17-8-13-26-18(17)19(22)20-9-11-21(12-10-20)27(23,24)16-6-4-15(25-3)5-7-16/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone?
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone has a molecular weight of 408.55 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 60567147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).