2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide

C22H23ClN4O4S2 — CID 90690700

IUPAC2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(C(=O)NCCc1ccncc1)N1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O
InChIInChI=1S/C22H23ClN4O4S2/c1-15(22(29)25-9-6-16-4-7-24-8-5-16)27-11-10-26(14-20(27)28)33(30,31)21-12-17-2-3-18(23)13-19(17)32-21/h2-5,7-8,12-13,15H,6,9-11,14H2,1H3,(H,25,29)
InChIKeySEAJZEWFBJLXQM-UHFFFAOYSA-N
MW507.04 g/mol
LogP2.53
Rot. Bonds7

About 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide

2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 90690700) has the molecular formula C22H23ClN4O4S2 and a molecular weight of 507.04 g/mol. Its IUPAC name is 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID90690700
Molecular FormulaC22H23ClN4O4S2
Molecular Weight507.04 g/mol
Exact Mass506.08
IUPAC Name2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(C(=O)NCCc1ccncc1)N1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O
InChIInChI=1S/C22H23ClN4O4S2/c1-15(22(29)25-9-6-16-4-7-24-8-5-16)27-11-10-26(14-20(27)28)33(30,31)21-12-17-2-3-18(23)13-19(17)32-21/h2-5,7-8,12-13,15H,6,9-11,14H2,1H3,(H,25,29)
InChIKeySEAJZEWFBJLXQM-UHFFFAOYSA-N
XLogP2.53
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.04
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide (CID 90690700) is 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide is CC(C(=O)NCCc1ccncc1)N1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1=O.
What is the InChIKey of 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is SEAJZEWFBJLXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4S2/c1-15(22(29)25-9-6-16-4-7-24-8-5-16)27-11-10-26(14-20(27)28)33(30,31)21-12-17-2-3-18(23)13-19(17)32-21/h2-5,7-8,12-13,15H,6,9-11,14H2,1H3,(H,25,29).
What are the key properties of 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide?
2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 507.04 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 90690700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).