2-ethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide

C20H25N3O4S — CID 4926357

IUPAC2-ethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H25N3O4S/c1-3-27-19-7-5-4-6-18(19)20(24)21-16-8-10-17(11-9-16)28(25,26)23-14-12-22(2)13-15-23/h4-11H,3,12-15H2,1-2H3,(H,21,24)
InChIKeyQVGBPRMAWHLBDY-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.27
Rot. Bonds6

About 2-ethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide

2-ethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide (PubChem CID 4926357) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
PubChem CID4926357
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-ethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H25N3O4S/c1-3-27-19-7-5-4-6-18(19)20(24)21-16-8-10-17(11-9-16)28(25,26)23-14-12-22(2)13-15-23/h4-11H,3,12-15H2,1-2H3,(H,21,24)
InChIKeyQVGBPRMAWHLBDY-UHFFFAOYSA-N
XLogP2.27
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide (CID 4926357) is 2-ethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide is CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-ethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is QVGBPRMAWHLBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-3-27-19-7-5-4-6-18(19)20(24)21-16-8-10-17(11-9-16)28(25,26)23-14-12-22(2)13-15-23/h4-11H,3,12-15H2,1-2H3,(H,21,24).
What are the key properties of 2-ethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
2-ethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 4926357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).