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

C20H29N3O2S2 — CID 6622340

IUPACN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H29N3O2S2/c1-4-22-11-13-23(14-12-22)20(19-6-5-15-26-19)17(3)21-27(24,25)18-9-7-16(2)8-10-18/h5-10,15,17,20-21H,4,11-14H2,1-3H3
InChIKeyMWEJUUKVXXTAEO-UHFFFAOYSA-N
MW407.61 g/mol
LogP3.10
Rot. Bonds7

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

N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 6622340) has the molecular formula C20H29N3O2S2 and a molecular weight of 407.61 g/mol. Its IUPAC name is N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-methylbenzenesulfonamide
PubChem CID6622340
Molecular FormulaC20H29N3O2S2
Molecular Weight407.61 g/mol
Exact Mass407.17
IUPAC NameN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H29N3O2S2/c1-4-22-11-13-23(14-12-22)20(19-6-5-15-26-19)17(3)21-27(24,25)18-9-7-16(2)8-10-18/h5-10,15,17,20-21H,4,11-14H2,1-3H3
InChIKeyMWEJUUKVXXTAEO-UHFFFAOYSA-N
XLogP3.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.61
LogP ≤ 53.10
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]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-methylbenzenesulfonamide (CID 6622340) is N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-methylbenzenesulfonamide is CCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is MWEJUUKVXXTAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S2/c1-4-22-11-13-23(14-12-22)20(19-6-5-15-26-19)17(3)21-27(24,25)18-9-7-16(2)8-10-18/h5-10,15,17,20-21H,4,11-14H2,1-3H3.
What are the key properties of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-methylbenzenesulfonamide?
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 407.61 g/mol, XLogP of 3.10, 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]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6622340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).