2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide

C21H27N5O4S — CID 55692362

IUPAC2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H27N5O4S/c1-17-6-2-3-7-18(17)21(28)24-16-20(27)23-10-15-31(29,30)26-13-11-25(12-14-26)19-8-4-5-9-22-19/h2-9H,10-16H2,1H3,(H,23,27)(H,24,28)
InChIKeyQQCJDVNTSPWFAD-UHFFFAOYSA-N
MW445.55 g/mol
LogP0.39
Rot. Bonds8

About 2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide

2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide (PubChem CID 55692362) has the molecular formula C21H27N5O4S and a molecular weight of 445.55 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
PubChem CID55692362
Molecular FormulaC21H27N5O4S
Molecular Weight445.55 g/mol
Exact Mass445.18
IUPAC Name2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H27N5O4S/c1-17-6-2-3-7-18(17)21(28)24-16-20(27)23-10-15-31(29,30)26-13-11-25(12-14-26)19-8-4-5-9-22-19/h2-9H,10-16H2,1H3,(H,23,27)(H,24,28)
InChIKeyQQCJDVNTSPWFAD-UHFFFAOYSA-N
XLogP0.39
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
CID 46455798
2-(2-chlorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 25285260
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]furan-2-carboxamide
CID 55692437
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
2-phenylsulfanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridine-3-carboxamide
CID 55692390
2-(2-ethoxyphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55838125
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345334
2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439001
2-(pyridin-2-ylmethylsulfanyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55822727
4-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 47031694
3-(phenylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide
CID 55963186
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-methylbenzamide
CID 110346004

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide (CID 55692362) is 2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide is Cc1ccccc1C(=O)NCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide?
The InChIKey is QQCJDVNTSPWFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4S/c1-17-6-2-3-7-18(17)21(28)24-16-20(27)23-10-15-31(29,30)26-13-11-25(12-14-26)19-8-4-5-9-22-19/h2-9H,10-16H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide?
2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide has a molecular weight of 445.55 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide is sourced from PubChem (CID 55692362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).