3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide

C20H23BrN2O5S — CID 17342731

IUPAC3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Br
InChIInChI=1S/C20H23BrN2O5S/c1-2-11-28-19-8-3-15(14-18(19)21)20(24)22-16-4-6-17(7-5-16)29(25,26)23-9-12-27-13-10-23/h3-8,14H,2,9-13H2,1H3,(H,22,24)
InChIKeyPMHWTDVLRHRGQT-UHFFFAOYSA-N
MW483.38 g/mol
LogP3.51
Rot. Bonds7

About 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide

3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide (PubChem CID 17342731) has the molecular formula C20H23BrN2O5S and a molecular weight of 483.38 g/mol. Its IUPAC name is 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide
PubChem CID17342731
Molecular FormulaC20H23BrN2O5S
Molecular Weight483.38 g/mol
Exact Mass482.05
IUPAC Name3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Br
InChIInChI=1S/C20H23BrN2O5S/c1-2-11-28-19-8-3-15(14-18(19)21)20(24)22-16-4-6-17(7-5-16)29(25,26)23-9-12-27-13-10-23/h3-8,14H,2,9-13H2,1H3,(H,22,24)
InChIKeyPMHWTDVLRHRGQT-UHFFFAOYSA-N
XLogP3.51
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-butoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 4955793
3-bromo-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 4959480
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 17131718
3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17073769
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17342662
propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 18209204
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 17112612
3-bromo-4-hexoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 4959772
3-bromo-4-hexoxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 4959765

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide (CID 17342731) is 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide?
The InChIKey is PMHWTDVLRHRGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O5S/c1-2-11-28-19-8-3-15(14-18(19)21)20(24)22-16-4-6-17(7-5-16)29(25,26)23-9-12-27-13-10-23/h3-8,14H,2,9-13H2,1H3,(H,22,24).
What are the key properties of 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide?
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide has a molecular weight of 483.38 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide is sourced from PubChem (CID 17342731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).