N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide

C22H26N4O3S2 — CID 4073130

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1N1CCN(C(CNS(=O)(=O)c2cccs2)c2cccnc2)CC1
InChIInChI=1S/C22H26N4O3S2/c1-29-21-8-3-2-7-19(21)25-11-13-26(14-12-25)20(18-6-4-10-23-16-18)17-24-31(27,28)22-9-5-15-30-22/h2-10,15-16,20,24H,11-14,17H2,1H3
InChIKeyWWGQVTLXWGTPSN-UHFFFAOYSA-N
MW458.61 g/mol
LogP2.99
Rot. Bonds8

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide (PubChem CID 4073130) has the molecular formula C22H26N4O3S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
PubChem CID4073130
Molecular FormulaC22H26N4O3S2
Molecular Weight458.61 g/mol
Exact Mass458.14
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1N1CCN(C(CNS(=O)(=O)c2cccs2)c2cccnc2)CC1
InChIInChI=1S/C22H26N4O3S2/c1-29-21-8-3-2-7-19(21)25-11-13-26(14-12-25)20(18-6-4-10-23-16-18)17-24-31(27,28)22-9-5-15-30-22/h2-10,15-16,20,24H,11-14,17H2,1H3
InChIKeyWWGQVTLXWGTPSN-UHFFFAOYSA-N
XLogP2.99
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide (CID 4073130) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide is COc1ccccc1N1CCN(C(CNS(=O)(=O)c2cccs2)c2cccnc2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide?
The InChIKey is WWGQVTLXWGTPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S2/c1-29-21-8-3-2-7-19(21)25-11-13-26(14-12-25)20(18-6-4-10-23-16-18)17-24-31(27,28)22-9-5-15-30-22/h2-10,15-16,20,24H,11-14,17H2,1H3.
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide has a molecular weight of 458.61 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4073130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).