N-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide

C17H25N3O3S — CID 50819158

IUPACN-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide
SMILESCc1ccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)C2CC2)cc1
InChIInChI=1S/C17H25N3O3S/c1-14-2-4-15(5-3-14)17(21)20(16-6-7-16)12-13-24(22,23)19-10-8-18-9-11-19/h2-5,16,18H,6-13H2,1H3
InChIKeyNLZVVORUJHLQNP-UHFFFAOYSA-N
MW351.47 g/mol
LogP0.83
Rot. Bonds6

About N-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide

N-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide (PubChem CID 50819158) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide
PubChem CID50819158
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide
SMILESCc1ccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)C2CC2)cc1
InChIInChI=1S/C17H25N3O3S/c1-14-2-4-15(5-3-14)17(21)20(16-6-7-16)12-13-24(22,23)19-10-8-18-9-11-19/h2-5,16,18H,6-13H2,1H3
InChIKeyNLZVVORUJHLQNP-UHFFFAOYSA-N
XLogP0.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061526
N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50820941
4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50821035
N-cyclopentyl-2-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061525
3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide
CID 50819223
N-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide
CID 50819080
N-ethyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146061729
N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 20971250
N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50820985
4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779539
3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 94090809
N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971314

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide (CID 50819158) is N-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide is Cc1ccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The InChIKey is NLZVVORUJHLQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-14-2-4-15(5-3-14)17(21)20(16-6-7-16)12-13-24(22,23)19-10-8-18-9-11-19/h2-5,16,18H,6-13H2,1H3.
What are the key properties of N-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
N-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide has a molecular weight of 351.47 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide is sourced from PubChem (CID 50819158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).