N-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide

C18H20N4O3S — CID 56953735

IUPACN-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H20N4O3S/c1-2-18(23)20-15-6-8-16(9-7-15)26(24,25)22-13-11-21(12-14-22)17-5-3-4-10-19-17/h2-10H,1,11-14H2,(H,20,23)
InChIKeyYDQPDMPSNNWJLX-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.72
Rot. Bonds5

About N-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide

N-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide (PubChem CID 56953735) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
PubChem CID56953735
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H20N4O3S/c1-2-18(23)20-15-6-8-16(9-7-15)26(24,25)22-13-11-21(12-14-22)17-5-3-4-10-19-17/h2-10H,1,11-14H2,(H,20,23)
InChIKeyYDQPDMPSNNWJLX-UHFFFAOYSA-N
XLogP1.72
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 5336
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CID 64952
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Acetylsulfapyridine
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N-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 3547487
N,4-dimethyl-N-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)benzenesulfonamide
CID 2953239
N-{4-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}acetamide
CID 669666
Sulfapyridine Sodium
CID 23667654
4-((2-Amino-4-pyrimidinyl)amino)benzenesulfonamide
CID 31036
A-784168
CID 11420211
4-[(2s)-4-[(6-Aminopyridin-3-Yl)sulfonyl]-2-(Prop-1-Yn-1-Yl)piperazin-1-Yl]-N-Methylbenzenesulfonamide
CID 73332274
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
The IUPAC name of N-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide (CID 56953735) is N-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
The canonical SMILES for N-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide is C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
The InChIKey is YDQPDMPSNNWJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-2-18(23)20-15-6-8-16(9-7-15)26(24,25)22-13-11-21(12-14-22)17-5-3-4-10-19-17/h2-10H,1,11-14H2,(H,20,23).
What are the key properties of N-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
N-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide has a molecular weight of 372.45 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide is sourced from PubChem (CID 56953735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).