4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

C21H26N2O6S — CID 17112612

IUPAC4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O6S/c1-2-27-15-16-29-19-7-3-17(4-8-19)21(24)22-18-5-9-20(10-6-18)30(25,26)23-11-13-28-14-12-23/h3-10H,2,11-16H2,1H3,(H,22,24)
InChIKeyNJUNXBVEBXDHJS-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.38
Rot. Bonds9

About 4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 17112612) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID17112612
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O6S/c1-2-27-15-16-29-19-7-3-17(4-8-19)21(24)22-18-5-9-20(10-6-18)30(25,26)23-11-13-28-14-12-23/h3-10H,2,11-16H2,1H3,(H,22,24)
InChIKeyNJUNXBVEBXDHJS-UHFFFAOYSA-N
XLogP2.38
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.38
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

[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate
CID 1164288
N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
CID 4938402
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24677372
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide
CID 4938426
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
CID 2211272
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide
CID 17342731
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide
CID 55343091

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (CID 17112612) is 4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is CCOCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is NJUNXBVEBXDHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-2-27-15-16-29-19-7-3-17(4-8-19)21(24)22-18-5-9-20(10-6-18)30(25,26)23-11-13-28-14-12-23/h3-10H,2,11-16H2,1H3,(H,22,24).
What are the key properties of 4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 434.51 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 17112612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).