N-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide

C23H29N3O4S — CID 23815446

IUPACN-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide
SMILESCCN(CC)CCc1cn(S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccc(OC)cc12
InChIInChI=1S/C23H29N3O4S/c1-5-25(6-2)14-13-18-16-26(23-12-9-20(30-4)15-22(18)23)31(28,29)21-10-7-19(8-11-21)24-17(3)27/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,27)
InChIKeyOHORRLMJTXJOLU-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.73
Rot. Bonds9

About N-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide

N-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide (PubChem CID 23815446) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide
PubChem CID23815446
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide
SMILESCCN(CC)CCc1cn(S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccc(OC)cc12
InChIInChI=1S/C23H29N3O4S/c1-5-25(6-2)14-13-18-16-26(23-12-9-20(30-4)15-22(18)23)31(28,29)21-10-7-19(8-11-21)24-17(3)27/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,27)
InChIKeyOHORRLMJTXJOLU-UHFFFAOYSA-N
XLogP3.73
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide (CID 23815446) is N-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide is CCN(CC)CCc1cn(S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccc(OC)cc12.
What is the InChIKey of N-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide?
The InChIKey is OHORRLMJTXJOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-5-25(6-2)14-13-18-16-26(23-12-9-20(30-4)15-22(18)23)31(28,29)21-10-7-19(8-11-21)24-17(3)27/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,27).
What are the key properties of N-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide?
N-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide has a molecular weight of 443.57 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-(diethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 23815446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).