5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

C19H22N2O4S2 — CID 4790991

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1
InChIInChI=1S/C19H22N2O4S2/c1-25-15-5-7-16(8-6-15)27(23,24)21-11-9-20(10-12-21)19(22)18-13-14-3-2-4-17(14)26-18/h5-8,13H,2-4,9-12H2,1H3
InChIKeyZRAGLVPPHIQWLS-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.39
Rot. Bonds4

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 4790991) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID4790991
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1
InChIInChI=1S/C19H22N2O4S2/c1-25-15-5-7-16(8-6-15)27(23,24)21-11-9-20(10-12-21)19(22)18-13-14-3-2-4-17(14)26-18/h5-8,13H,2-4,9-12H2,1H3
InChIKeyZRAGLVPPHIQWLS-UHFFFAOYSA-N
XLogP2.39
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 3846024
[4-(4-Methoxy-benzenesulfonyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 1147989
[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2671442
3-(4-Methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 2713016
2-(2-Methoxyphenyl)-1-[4-(2-thienylsulfonyl)piperazinyl]ethan-1-one
CID 6465259
4-methoxy-N-[[1-[(3-methyl-2-thiophenyl)-oxomethyl]-3-piperidinyl]methyl]benzenesulfonamide
CID 16189508
4-methoxy-N-{[1-(2-thienylcarbonyl)piperidin-3-yl]methyl}benzenesulfonamide
CID 16189611
{4-[(4-Ethoxyphenyl)sulfonyl]piperazin-1-yl}(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2579383
US10807974, Example 52
CID 138618978
3-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N-[2-(4-methoxyphenyl)sulfonylethyl]benzamide;hydrochloride
CID 141720499
1-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 2456928
5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 7965339

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (CID 4790991) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is ZRAGLVPPHIQWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-25-15-5-7-16(8-6-15)27(23,24)21-11-9-20(10-12-21)19(22)18-13-14-3-2-4-17(14)26-18/h5-8,13H,2-4,9-12H2,1H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 406.53 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 4790991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).