N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide

C20H22N4O3S3 — CID 24656783

IUPACN-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccsc4)n3)CC2)cc1
InChIInChI=1S/C20H22N4O3S3/c1-21-19(25)15-2-4-18(5-3-15)30(26,27)24-9-7-23(8-10-24)12-17-14-29-20(22-17)16-6-11-28-13-16/h2-6,11,13-14H,7-10,12H2,1H3,(H,21,25)
InChIKeyFLBLMRMJRRGRFT-UHFFFAOYSA-N
MW462.62 g/mol
LogP2.74
Rot. Bonds6

About N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide

N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide (PubChem CID 24656783) has the molecular formula C20H22N4O3S3 and a molecular weight of 462.62 g/mol. Its IUPAC name is N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide
PubChem CID24656783
Molecular FormulaC20H22N4O3S3
Molecular Weight462.62 g/mol
Exact Mass462.09
IUPAC NameN-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccsc4)n3)CC2)cc1
InChIInChI=1S/C20H22N4O3S3/c1-21-19(25)15-2-4-18(5-3-15)30(26,27)24-9-7-23(8-10-24)12-17-14-29-20(22-17)16-6-11-28-13-16/h2-6,11,13-14H,7-10,12H2,1H3,(H,21,25)
InChIKeyFLBLMRMJRRGRFT-UHFFFAOYSA-N
XLogP2.74
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide 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

6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 24656784
4-[[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 24656779
4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 24681499
2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 26575815
4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide
CID 55542243
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 31794244
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 24610954
4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 80703386
4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22197125
N-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 8804931
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130860

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide?
The IUPAC name of N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide (CID 24656783) is N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide is CNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccsc4)n3)CC2)cc1.
What is the InChIKey of N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide?
The InChIKey is FLBLMRMJRRGRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S3/c1-21-19(25)15-2-4-18(5-3-15)30(26,27)24-9-7-23(8-10-24)12-17-14-29-20(22-17)16-6-11-28-13-16/h2-6,11,13-14H,7-10,12H2,1H3,(H,21,25).
What are the key properties of N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide?
N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide has a molecular weight of 462.62 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 24656783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).