[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone

C20H26N2O5S2 — CID 1245196

IUPAC[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cs1
InChIInChI=1S/C20H26N2O5S2/c1-4-5-16-12-15(14-28-16)20(23)21-8-10-22(11-9-21)29(24,25)17-6-7-18(26-2)19(13-17)27-3/h6-7,12-14H,4-5,8-11H2,1-3H3
InChIKeyAUPAVEPAGKAKTA-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.86
Rot. Bonds7

About [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone

[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone (PubChem CID 1245196) has the molecular formula C20H26N2O5S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone
PubChem CID1245196
Molecular FormulaC20H26N2O5S2
Molecular Weight438.57 g/mol
Exact Mass438.13
IUPAC Name[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cs1
InChIInChI=1S/C20H26N2O5S2/c1-4-5-16-12-15(14-28-16)20(23)21-8-10-22(11-9-21)29(24,25)17-6-7-18(26-2)19(13-17)27-3/h6-7,12-14H,4-5,8-11H2,1-3H3
InChIKeyAUPAVEPAGKAKTA-UHFFFAOYSA-N
XLogP2.86
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(3,4-Dimethoxyphenyl)-5-Methyl-2-(4-Methylsulfonylpiperazin-1-Yl)carbonyl-Thieno[3,2-C]pyridin-4-One
CID 91668542
[4-(4-Methoxy-benzenesulfonyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 1147989
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 4790991
1-(2,3-Dimethoxybenzoyl)-4-(2-thienylcarbonyl)piperazine
CID 1148081
[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2671442
4-methoxy-N-[[1-[(3-methyl-2-thiophenyl)-oxomethyl]-3-piperidinyl]methyl]benzenesulfonamide
CID 16189508
4-methoxy-N-{[1-(2-thienylcarbonyl)-3-piperidinyl]methyl}benzenesulfonamide
CID 16189611
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-(2-thienylmethyl)piperazine
CID 9166109
[4-(4-Ethoxyphenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2579383
1-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 2456928
[4-[(2,3-Dimethoxyphenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 712500
[4-(3,4-Dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 1247100

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone?
The IUPAC name of [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone (CID 1245196) is [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone is CCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cs1.
What is the InChIKey of [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone?
The InChIKey is AUPAVEPAGKAKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S2/c1-4-5-16-12-15(14-28-16)20(23)21-8-10-22(11-9-21)29(24,25)17-6-7-18(26-2)19(13-17)27-3/h6-7,12-14H,4-5,8-11H2,1-3H3.
What are the key properties of [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone?
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone has a molecular weight of 438.57 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-propylthiophen-3-yl)methanone is sourced from PubChem (CID 1245196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).