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

C22H29N3O5S — CID 17122736

IUPAC2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCCOCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C22H29N3O5S/c1-3-29-16-17-30-21-7-5-4-6-20(21)22(26)23-18-8-10-19(11-9-18)31(27,28)25-14-12-24(2)13-15-25/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKeyMIEQOFVOCCQPMM-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.29
Rot. Bonds9

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

2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide (PubChem CID 17122736) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
PubChem CID17122736
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCCOCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C22H29N3O5S/c1-3-29-16-17-30-21-7-5-4-6-20(21)22(26)23-18-8-10-19(11-9-18)31(27,28)25-14-12-24(2)13-15-25/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKeyMIEQOFVOCCQPMM-UHFFFAOYSA-N
XLogP2.29
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17122717
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(2-ethoxyethoxy)benzamide
CID 17122780
2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4947884
2-(2-ethoxyethoxy)-N-(4-sulfamoylphenyl)benzamide
CID 17122684
2-(2-methoxyethoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17355372
2-(2-ethoxyethoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 17122669
2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4942049
N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17122995
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945392
2-(2-methoxyethoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 17355942
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355940
2-(2-ethoxyethoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 17122725

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide (CID 17122736) is 2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide is CCOCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is MIEQOFVOCCQPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-3-29-16-17-30-21-7-5-4-6-20(21)22(26)23-18-8-10-19(11-9-18)31(27,28)25-14-12-24(2)13-15-25/h4-11H,3,12-17H2,1-2H3,(H,23,26).
What are the key properties of 2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 447.56 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 17122736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).