N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide

C18H27N3O4S — CID 20971250

IUPACN-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
SMILESO=C(c1ccccc1)N(CCS(=O)(=O)N1CCNCC1)CC1CCCO1
InChIInChI=1S/C18H27N3O4S/c22-18(16-5-2-1-3-6-16)20(15-17-7-4-13-25-17)12-14-26(23,24)21-10-8-19-9-11-21/h1-3,5-6,17,19H,4,7-15H2
InChIKeyLNPATPYYJDQMDH-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.54
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide

N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide (PubChem CID 20971250) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
PubChem CID20971250
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
SMILESO=C(c1ccccc1)N(CCS(=O)(=O)N1CCNCC1)CC1CCCO1
InChIInChI=1S/C18H27N3O4S/c22-18(16-5-2-1-3-6-16)20(15-17-7-4-13-25-17)12-14-26(23,24)21-10-8-19-9-11-21/h1-3,5-6,17,19H,4,7-15H2
InChIKeyLNPATPYYJDQMDH-UHFFFAOYSA-N
XLogP0.54
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50820985
N-(3-methoxypropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061651
4-fluoro-N-(oxolan-2-ylmethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779448
4-bromo-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 92723683
4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 92746827
2,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971340
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
4-cyano-N-(oxolan-2-ylmethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146071292
3,4-difluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 92501839
4-chloro-N-[(2S)-2-phenylpropyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 94090789
N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide
CID 119747376
4-chloro-N-(2-piperazin-1-ylsulfonylethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 50820945

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide (CID 20971250) is N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide is O=C(c1ccccc1)N(CCS(=O)(=O)N1CCNCC1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The InChIKey is LNPATPYYJDQMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c22-18(16-5-2-1-3-6-16)20(15-17-7-4-13-25-17)12-14-26(23,24)21-10-8-19-9-11-21/h1-3,5-6,17,19H,4,7-15H2.
What are the key properties of N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide has a molecular weight of 381.50 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide is sourced from PubChem (CID 20971250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).