2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide

C20H26N4O3S — CID 86968871

IUPAC2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C20H26N4O3S/c1-16(22-20(25)17-7-3-4-8-18(17)28(2,26)27)15-23-11-13-24(14-12-23)19-9-5-6-10-21-19/h3-10,16H,11-15H2,1-2H3,(H,22,25)
InChIKeyLNAOBUCLRCBQKU-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.43
Rot. Bonds6

About 2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide

2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide (PubChem CID 86968871) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
PubChem CID86968871
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C20H26N4O3S/c1-16(22-20(25)17-7-3-4-8-18(17)28(2,26)27)15-23-11-13-24(14-12-23)19-9-5-6-10-21-19/h3-10,16H,11-15H2,1-2H3,(H,22,25)
InChIKeyLNAOBUCLRCBQKU-UHFFFAOYSA-N
XLogP1.43
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968929
3-(methylsulfonylmethyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968837
N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide
CID 86969023
2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968915
N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 86969810
2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 86968963
2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 139008384
1-methyl-3-(4-nitrophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-4-carboxamide
CID 86968975
3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 86968778
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide
CID 133307236
2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 71157049

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide (CID 86968871) is 2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide is CC(CN1CCN(c2ccccn2)CC1)NC(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide?
The InChIKey is LNAOBUCLRCBQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-16(22-20(25)17-7-3-4-8-18(17)28(2,26)27)15-23-11-13-24(14-12-23)19-9-5-6-10-21-19/h3-10,16H,11-15H2,1-2H3,(H,22,25).
What are the key properties of 2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide?
2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide has a molecular weight of 402.52 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 86968871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).