N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide

C19H27N5O3S — CID 49319709

IUPACN-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)CCCn3cccn3)cc2)CC1
InChIInChI=1S/C19H27N5O3S/c1-2-22-13-15-24(16-14-22)28(26,27)18-8-6-17(7-9-18)21-19(25)5-3-11-23-12-4-10-20-23/h4,6-10,12H,2-3,5,11,13-16H2,1H3,(H,21,25)
InChIKeyIPZUCHVLFINWOR-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.63
Rot. Bonds8

About N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide

N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide (PubChem CID 49319709) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide
PubChem CID49319709
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)CCCn3cccn3)cc2)CC1
InChIInChI=1S/C19H27N5O3S/c1-2-22-13-15-24(16-14-22)28(26,27)18-8-6-17(7-9-18)21-19(25)5-3-11-23-12-4-10-20-23/h4,6-10,12H,2-3,5,11,13-16H2,1H3,(H,21,25)
InChIKeyIPZUCHVLFINWOR-UHFFFAOYSA-N
XLogP1.63
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 55375869
(E)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 30991883
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide
CID 55596310
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 55383950
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 39724550
1-[3-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 56550483
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide
CID 55668651
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-pyrazol-1-ylpropanamide
CID 86979931
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
4-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]butanamide
CID 47046843

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide (CID 49319709) is N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide is CCN1CCN(S(=O)(=O)c2ccc(NC(=O)CCCn3cccn3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide?
The InChIKey is IPZUCHVLFINWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-2-22-13-15-24(16-14-22)28(26,27)18-8-6-17(7-9-18)21-19(25)5-3-11-23-12-4-10-20-23/h4,6-10,12H,2-3,5,11,13-16H2,1H3,(H,21,25).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide?
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide has a molecular weight of 405.52 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 49319709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).