N-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide

C23H36N4O2S — CID 70827219

IUPACN-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide
SMILESCCN(CCN(C)CC(=O)N1CCN(C2CCC2)CC1)C(=O)c1ccc(SC)cc1
InChIInChI=1S/C23H36N4O2S/c1-4-25(23(29)19-8-10-21(30-3)11-9-19)13-12-24(2)18-22(28)27-16-14-26(15-17-27)20-6-5-7-20/h8-11,20H,4-7,12-18H2,1-3H3
InChIKeyQZYGGPDYHLBGBA-UHFFFAOYSA-N
MW432.63 g/mol
LogP2.50
Rot. Bonds9

About N-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide

N-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide (PubChem CID 70827219) has the molecular formula C23H36N4O2S and a molecular weight of 432.63 g/mol. Its IUPAC name is N-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide
PubChem CID70827219
Molecular FormulaC23H36N4O2S
Molecular Weight432.63 g/mol
Exact Mass432.26
IUPAC NameN-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide
SMILESCCN(CCN(C)CC(=O)N1CCN(C2CCC2)CC1)C(=O)c1ccc(SC)cc1
InChIInChI=1S/C23H36N4O2S/c1-4-25(23(29)19-8-10-21(30-3)11-9-19)13-12-24(2)18-22(28)27-16-14-26(15-17-27)20-6-5-7-20/h8-11,20H,4-7,12-18H2,1-3H3
InChIKeyQZYGGPDYHLBGBA-UHFFFAOYSA-N
XLogP2.50
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide with MolForge

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Related Compounds

1-(4-cyclobutylpiperazin-1-yl)-2-[2-[4-(3,4-dimethylphenyl)-N-ethylanilino]ethyl-methylamino]ethanone
CID 70827203
N,N-diethyl-4-methylsulfanylbenzamide;ethane
CID 145226293
1-[2-[methyl-(4-methylsulfanylbenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236330
N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-4-methylsulfanylbenzamide
CID 57443212
methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate
CID 54979363
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[ethyl-[6-(3-ethylphenyl)pyridazin-3-yl]amino]ethyl-methylamino]ethanone
CID 70827224
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone
CID 57442752
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78816760
N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 22321691
3-[5-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl-ethylamino]pyrazin-2-yl]benzonitrile
CID 70827214
N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide
CID 54994461
2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 43796358

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide?
The IUPAC name of N-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide (CID 70827219) is N-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide?
The canonical SMILES for N-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide is CCN(CCN(C)CC(=O)N1CCN(C2CCC2)CC1)C(=O)c1ccc(SC)cc1.
What is the InChIKey of N-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide?
The InChIKey is QZYGGPDYHLBGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2S/c1-4-25(23(29)19-8-10-21(30-3)11-9-19)13-12-24(2)18-22(28)27-16-14-26(15-17-27)20-6-5-7-20/h8-11,20H,4-7,12-18H2,1-3H3.
What are the key properties of N-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide?
N-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide has a molecular weight of 432.63 g/mol, XLogP of 2.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethyl]-N-ethyl-4-methylsulfanylbenzamide is sourced from PubChem (CID 70827219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).