N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide

C19H21N3O3S — CID 52938168

IUPACN-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H21N3O3S/c1-2-19(23)20-16-7-6-10-18(15-16)26(24,25)22-13-11-21(12-14-22)17-8-4-3-5-9-17/h2-10,15H,1,11-14H2,(H,20,23)
InChIKeyZCPLZSIWTFERLU-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.32
Rot. Bonds5

About N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide

N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide (PubChem CID 52938168) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
PubChem CID52938168
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H21N3O3S/c1-2-19(23)20-16-7-6-10-18(15-16)26(24,25)22-13-11-21(12-14-22)17-8-4-3-5-9-17/h2-10,15H,1,11-14H2,(H,20,23)
InChIKeyZCPLZSIWTFERLU-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 52938799
2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 24795557
(E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 7926310
N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 53321771
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
CID 24687022
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 26249588
(2E,4E)-N-(3-pyrrolidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 9415021
N-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 52938044
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 2369448
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid
CID 45466358
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
The IUPAC name of N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide (CID 52938168) is N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
The canonical SMILES for N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide is C=CC(=O)Nc1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
The InChIKey is ZCPLZSIWTFERLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-2-19(23)20-16-7-6-10-18(15-16)26(24,25)22-13-11-21(12-14-22)17-8-4-3-5-9-17/h2-10,15H,1,11-14H2,(H,20,23).
What are the key properties of N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide has a molecular weight of 371.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide is sourced from PubChem (CID 52938168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).