4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide

C22H26N4O4S2 — CID 5227348

IUPAC4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCN(c2ccccc2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H26N4O4S2/c27-21(18-6-8-20(9-7-18)32(28,29)26-14-16-30-17-15-26)23-22(31)25-12-10-24(11-13-25)19-4-2-1-3-5-19/h1-9H,10-17H2,(H,23,27,31)
InChIKeyYSFCPRGNVLLBQS-UHFFFAOYSA-N
MW474.61 g/mol
LogP1.54
Rot. Bonds4

About 4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide

4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide (PubChem CID 5227348) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide
PubChem CID5227348
Molecular FormulaC22H26N4O4S2
Molecular Weight474.61 g/mol
Exact Mass474.14
IUPAC Name4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCN(c2ccccc2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H26N4O4S2/c27-21(18-6-8-20(9-7-18)32(28,29)26-14-16-30-17-15-26)23-22(31)25-12-10-24(11-13-25)19-4-2-1-3-5-19/h1-9H,10-17H2,(H,23,27,31)
InChIKeyYSFCPRGNVLLBQS-UHFFFAOYSA-N
XLogP1.54
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide (CID 5227348) is 4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide is O=C(NC(=S)N1CCN(c2ccccc2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide?
The InChIKey is YSFCPRGNVLLBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c27-21(18-6-8-20(9-7-18)32(28,29)26-14-16-30-17-15-26)23-22(31)25-12-10-24(11-13-25)19-4-2-1-3-5-19/h1-9H,10-17H2,(H,23,27,31).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide?
4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide has a molecular weight of 474.61 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide is sourced from PubChem (CID 5227348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).