4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide

C18H26N4O5S — CID 19258233

IUPAC4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=CN1CCN(S(=O)(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1
InChIInChI=1S/C18H26N4O5S/c23-15-21-7-9-22(10-8-21)28(25,26)17-3-1-16(2-4-17)18(24)19-5-6-20-11-13-27-14-12-20/h1-4,15H,5-14H2,(H,19,24)
InChIKeyFIZKGUJRXSEMMO-UHFFFAOYSA-N
MW410.50 g/mol
LogP-0.79
Rot. Bonds7

About 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide

4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 19258233) has the molecular formula C18H26N4O5S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID19258233
Molecular FormulaC18H26N4O5S
Molecular Weight410.50 g/mol
Exact Mass410.16
IUPAC Name4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=CN1CCN(S(=O)(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1
InChIInChI=1S/C18H26N4O5S/c23-15-21-7-9-22(10-8-21)28(25,26)17-3-1-16(2-4-17)18(24)19-5-6-20-11-13-27-14-12-20/h1-4,15H,5-14H2,(H,19,24)
InChIKeyFIZKGUJRXSEMMO-UHFFFAOYSA-N
XLogP-0.79
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)-4-sulfamoylbenzamide
CID 25060315
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 34999302
4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884155
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 19258251
2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109253039
N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide
CID 109058274
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
CID 29196125
4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide
CID 19258176
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 29195438
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 89237031

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide (CID 19258233) is 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide is O=CN1CCN(S(=O)(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1.
What is the InChIKey of 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is FIZKGUJRXSEMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5S/c23-15-21-7-9-22(10-8-21)28(25,26)17-3-1-16(2-4-17)18(24)19-5-6-20-11-13-27-14-12-20/h1-4,15H,5-14H2,(H,19,24).
What are the key properties of 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide?
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 410.50 g/mol, XLogP of -0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 19258233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).