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

C19H28N4O4S — CID 67195324

IUPACN-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCN3CCOCC3)CC2)cc1
InChIInChI=1S/C19H28N4O4S/c1-2-19(24)20-17-3-5-18(6-4-17)28(25,26)23-11-9-21(10-12-23)7-8-22-13-15-27-16-14-22/h2-6H,1,7-16H2,(H,20,24)
InChIKeyQSLJWYDHWKQBHE-UHFFFAOYSA-N
MW408.52 g/mol
LogP0.45
Rot. Bonds7

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

N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide (PubChem CID 67195324) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
PubChem CID67195324
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC NameN-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCN3CCOCC3)CC2)cc1
InChIInChI=1S/C19H28N4O4S/c1-2-19(24)20-17-3-5-18(6-4-17)28(25,26)23-11-9-21(10-12-23)7-8-22-13-15-27-16-14-22/h2-6H,1,7-16H2,(H,20,24)
InChIKeyQSLJWYDHWKQBHE-UHFFFAOYSA-N
XLogP0.45
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The IUPAC name of N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide (CID 67195324) is N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide is C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCN3CCOCC3)CC2)cc1.
What is the InChIKey of N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The InChIKey is QSLJWYDHWKQBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-2-19(24)20-17-3-5-18(6-4-17)28(25,26)23-11-9-21(10-12-23)7-8-22-13-15-27-16-14-22/h2-6H,1,7-16H2,(H,20,24).
What are the key properties of N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide has a molecular weight of 408.52 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide is sourced from PubChem (CID 67195324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).