N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

C19H27N3O2S2 — CID 6710502

IUPACN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESCCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H27N3O2S2/c1-3-21-11-13-22(14-12-21)19(18-10-7-15-25-18)16(2)20-26(23,24)17-8-5-4-6-9-17/h4-10,15-16,19-20H,3,11-14H2,1-2H3
InChIKeyRHSZNJXCMDXTCO-UHFFFAOYSA-N
MW393.58 g/mol
LogP2.79
Rot. Bonds7

About N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (PubChem CID 6710502) has the molecular formula C19H27N3O2S2 and a molecular weight of 393.58 g/mol. Its IUPAC name is N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
PubChem CID6710502
Molecular FormulaC19H27N3O2S2
Molecular Weight393.58 g/mol
Exact Mass393.15
IUPAC NameN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESCCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H27N3O2S2/c1-3-21-11-13-22(14-12-21)19(18-10-7-15-25-18)16(2)20-26(23,24)17-8-5-4-6-9-17/h4-10,15-16,19-20H,3,11-14H2,1-2H3
InChIKeyRHSZNJXCMDXTCO-UHFFFAOYSA-N
XLogP2.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The IUPAC name of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (CID 6710502) is N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is CCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The InChIKey is RHSZNJXCMDXTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S2/c1-3-21-11-13-22(14-12-21)19(18-10-7-15-25-18)16(2)20-26(23,24)17-8-5-4-6-9-17/h4-10,15-16,19-20H,3,11-14H2,1-2H3.
What are the key properties of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 393.58 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 6710502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).