3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide

C24H32N2O7S — CID 3930366

IUPAC3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C24H32N2O7S/c1-4-30-21-14-17(15-22(31-5-2)23(21)32-6-3)24(27)26-18-9-11-20(12-10-18)34(28,29)25-16-19-8-7-13-33-19/h9-12,14-15,19,25H,4-8,13,16H2,1-3H3,(H,26,27)
InChIKeyMQRUGBRETDLLLQ-UHFFFAOYSA-N
MW492.59 g/mol
LogP3.59
Rot. Bonds12

About 3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide

3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 3930366) has the molecular formula C24H32N2O7S and a molecular weight of 492.59 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID3930366
Molecular FormulaC24H32N2O7S
Molecular Weight492.59 g/mol
Exact Mass492.19
IUPAC Name3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C24H32N2O7S/c1-4-30-21-14-17(15-22(31-5-2)23(21)32-6-3)24(27)26-18-9-11-20(12-10-18)34(28,29)25-16-19-8-7-13-33-19/h9-12,14-15,19,25H,4-8,13,16H2,1-3H3,(H,26,27)
InChIKeyMQRUGBRETDLLLQ-UHFFFAOYSA-N
XLogP3.59
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 17147023
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17161275
N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 30545290
N-[2-ethoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 6458754
3-bromo-4-(2-methoxyethoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 17161225
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide
CID 17161199
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17147003
3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219654
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 42305435
N-(1,3-benzodioxol-5-yl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1077889
N-(4-morpholin-4-ylphenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41094823

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide (CID 3930366) is 3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide is CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is MQRUGBRETDLLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O7S/c1-4-30-21-14-17(15-22(31-5-2)23(21)32-6-3)24(27)26-18-9-11-20(12-10-18)34(28,29)25-16-19-8-7-13-33-19/h9-12,14-15,19,25H,4-8,13,16H2,1-3H3,(H,26,27).
What are the key properties of 3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide has a molecular weight of 492.59 g/mol, XLogP of 3.59, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 3930366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).