3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C23H30N2O6S — CID 1077830

IUPAC3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C23H30N2O6S/c1-4-29-20-15-17(16-21(30-5-2)22(20)31-6-3)23(26)24-18-9-11-19(12-10-18)32(27,28)25-13-7-8-14-25/h9-12,15-16H,4-8,13-14H2,1-3H3,(H,24,26)
InChIKeyKTGJCOCBWUAKRP-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.92
Rot. Bonds10

About 3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 1077830) has the molecular formula C23H30N2O6S and a molecular weight of 462.57 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID1077830
Molecular FormulaC23H30N2O6S
Molecular Weight462.57 g/mol
Exact Mass462.18
IUPAC Name3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C23H30N2O6S/c1-4-29-20-15-17(16-21(30-5-2)22(20)31-6-3)23(26)24-18-9-11-19(12-10-18)32(27,28)25-13-7-8-14-25/h9-12,15-16H,4-8,13-14H2,1-3H3,(H,24,26)
InChIKeyKTGJCOCBWUAKRP-UHFFFAOYSA-N
XLogP3.92
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)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

3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2576501
3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17073769
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219654
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 2520365
N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
CID 4938402
3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 2945862
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 3586249
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,4-diethoxyphenyl)acetamide
CID 1013771

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 1077830) is 3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is KTGJCOCBWUAKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S/c1-4-29-20-15-17(16-21(30-5-2)22(20)31-6-3)23(26)24-18-9-11-19(12-10-18)32(27,28)25-13-7-8-14-25/h9-12,15-16H,4-8,13-14H2,1-3H3,(H,24,26).
What are the key properties of 3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 462.57 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1077830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).