3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide

C17H26N4O4S — CID 46333521

IUPAC3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
SMILESCS(=O)(=O)Nc1cc(C(=O)NCC2CCCO2)ccc1N1CCNCC1
InChIInChI=1S/C17H26N4O4S/c1-26(23,24)20-15-11-13(17(22)19-12-14-3-2-10-25-14)4-5-16(15)21-8-6-18-7-9-21/h4-5,11,14,18,20H,2-3,6-10,12H2,1H3,(H,19,22)
InChIKeyBXWCQERUYUBPSZ-UHFFFAOYSA-N
MW382.49 g/mol
LogP0.38
Rot. Bonds6

About 3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide

3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide (PubChem CID 46333521) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
PubChem CID46333521
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
SMILESCS(=O)(=O)Nc1cc(C(=O)NCC2CCCO2)ccc1N1CCNCC1
InChIInChI=1S/C17H26N4O4S/c1-26(23,24)20-15-11-13(17(22)19-12-14-3-2-10-25-14)4-5-16(15)21-8-6-18-7-9-21/h4-5,11,14,18,20H,2-3,6-10,12H2,1H3,(H,19,22)
InChIKeyBXWCQERUYUBPSZ-UHFFFAOYSA-N
XLogP0.38
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-chloro-4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-piperazin-1-ylbenzamide
CID 92872241
N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 46333531
3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
CID 46333530
3-[(3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059230
3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide
CID 46333263
3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 46333840
3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide
CID 46333797
N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-5-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46379625
3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 46333576
(2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide
CID 41452585
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92874908
3-nitro-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 15995929

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide?
The IUPAC name of 3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide (CID 46333521) is 3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide is CS(=O)(=O)Nc1cc(C(=O)NCC2CCCO2)ccc1N1CCNCC1.
What is the InChIKey of 3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide?
The InChIKey is BXWCQERUYUBPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-26(23,24)20-15-11-13(17(22)19-12-14-3-2-10-25-14)4-5-16(15)21-8-6-18-7-9-21/h4-5,11,14,18,20H,2-3,6-10,12H2,1H3,(H,19,22).
What are the key properties of 3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide?
3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide has a molecular weight of 382.49 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 46333521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).