N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

C19H25N3O4S — CID 52938669

IUPACN-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-2-18(23)20-16-7-9-17(10-8-16)27(25,26)22-13-11-21(12-14-22)19(24)15-5-3-4-6-15/h2,7-10,15H,1,3-6,11-14H2,(H,20,23)
InChIKeyWAZOFYYWAQHTQZ-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.83
Rot. Bonds5

About N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide (PubChem CID 52938669) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
PubChem CID52938669
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-2-18(23)20-16-7-9-17(10-8-16)27(25,26)22-13-11-21(12-14-22)19(24)15-5-3-4-6-15/h2,7-10,15H,1,3-6,11-14H2,(H,20,23)
InChIKeyWAZOFYYWAQHTQZ-UHFFFAOYSA-N
XLogP1.83
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The IUPAC name of N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide (CID 52938669) is N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide is C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The InChIKey is WAZOFYYWAQHTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-2-18(23)20-16-7-9-17(10-8-16)27(25,26)22-13-11-21(12-14-22)19(24)15-5-3-4-6-15/h2,7-10,15H,1,3-6,11-14H2,(H,20,23).
What are the key properties of N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide has a molecular weight of 391.49 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide is sourced from PubChem (CID 52938669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).