3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide

C19H31N3O3S — CID 43924692

IUPAC3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cccc(CN2CCN(S(=O)(=O)CC)CC2)c1
InChIInChI=1S/C19H31N3O3S/c1-4-7-16(3)20-19(23)18-9-6-8-17(14-18)15-21-10-12-22(13-11-21)26(24,25)5-2/h6,8-9,14,16H,4-5,7,10-13,15H2,1-3H3,(H,20,23)
InChIKeyZKWOKZPVPQQHDA-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.07
Rot. Bonds8

About 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide

3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide (PubChem CID 43924692) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide
PubChem CID43924692
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cccc(CN2CCN(S(=O)(=O)CC)CC2)c1
InChIInChI=1S/C19H31N3O3S/c1-4-7-16(3)20-19(23)18-9-6-8-17(14-18)15-21-10-12-22(13-11-21)26(24,25)5-2/h6,8-9,14,16H,4-5,7,10-13,15H2,1-3H3,(H,20,23)
InChIKeyZKWOKZPVPQQHDA-UHFFFAOYSA-N
XLogP2.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43918442
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925854
N-(2,4-dimethylpentan-3-yl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43921351
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 43924519
N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919553
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide
CID 43918902
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925182
N-butan-2-yl-2-[[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzamide
CID 43923588
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 43921245
3-(chloromethyl)-N-pentan-2-ylbenzamide
CID 43156329
N-[(1S)-1-cyanobutyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 95284180
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 43923906

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide?
The IUPAC name of 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide (CID 43924692) is 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide.
What is the SMILES notation for 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide?
The canonical SMILES for 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1cccc(CN2CCN(S(=O)(=O)CC)CC2)c1.
What is the InChIKey of 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide?
The InChIKey is ZKWOKZPVPQQHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-4-7-16(3)20-19(23)18-9-6-8-17(14-18)15-21-10-12-22(13-11-21)26(24,25)5-2/h6,8-9,14,16H,4-5,7,10-13,15H2,1-3H3,(H,20,23).
What are the key properties of 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide?
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide has a molecular weight of 381.54 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-pentan-2-ylbenzamide is sourced from PubChem (CID 43924692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).