2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide

C18H30N4O3S — CID 42438782

IUPAC2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
SMILESCCC(CC)C(=O)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H30N4O3S/c1-3-16(4-2)18(23)20-10-7-15-26(24,25)22-13-11-21(12-14-22)17-8-5-6-9-19-17/h5-6,8-9,16H,3-4,7,10-15H2,1-2H3,(H,20,23)
InChIKeyKRQUNIKCDVXGLR-UHFFFAOYSA-N
MW382.53 g/mol
LogP1.48
Rot. Bonds9

About 2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide

2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide (PubChem CID 42438782) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
PubChem CID42438782
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
SMILESCCC(CC)C(=O)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H30N4O3S/c1-3-16(4-2)18(23)20-10-7-15-26(24,25)22-13-11-21(12-14-22)17-8-5-6-9-19-17/h5-6,8-9,16H,3-4,7,10-15H2,1-2H3,(H,20,23)
InChIKeyKRQUNIKCDVXGLR-UHFFFAOYSA-N
XLogP1.48
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439001
4-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438917
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide
CID 42438637
2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439212
2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438806
2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439032
2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438465
3-cyclopentyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438818
1-(3-methylsulfanylpropyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]thiourea
CID 43076706
2-(4-fluorophenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438580
2-(3-methylphenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439165

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide (CID 42438782) is 2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide is CCC(CC)C(=O)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide?
The InChIKey is KRQUNIKCDVXGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-3-16(4-2)18(23)20-10-7-15-26(24,25)22-13-11-21(12-14-22)17-8-5-6-9-19-17/h5-6,8-9,16H,3-4,7,10-15H2,1-2H3,(H,20,23).
What are the key properties of 2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide?
2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide has a molecular weight of 382.53 g/mol, XLogP of 1.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide is sourced from PubChem (CID 42438782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).