N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

C23H18N2O4S — CID 1088996

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H18N2O4S/c26-22(24-11-15-7-8-19-20(10-15)29-14-28-19)13-25-12-17(16-4-1-2-5-18(16)25)23(27)21-6-3-9-30-21/h1-10,12H,11,13-14H2,(H,24,26)
InChIKeyUCDCNUGIXHXJMX-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.98
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (PubChem CID 1088996) has the molecular formula C23H18N2O4S and a molecular weight of 418.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
PubChem CID1088996
Molecular FormulaC23H18N2O4S
Molecular Weight418.47 g/mol
Exact Mass418.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H18N2O4S/c26-22(24-11-15-7-8-19-20(10-15)29-14-28-19)13-25-12-17(16-4-1-2-5-18(16)25)23(27)21-6-3-9-30-21/h1-10,12H,11,13-14H2,(H,24,26)
InChIKeyUCDCNUGIXHXJMX-UHFFFAOYSA-N
XLogP3.98
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]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-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (CID 1088996) is N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The InChIKey is UCDCNUGIXHXJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4S/c26-22(24-11-15-7-8-19-20(10-15)29-14-28-19)13-25-12-17(16-4-1-2-5-18(16)25)23(27)21-6-3-9-30-21/h1-10,12H,11,13-14H2,(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide has a molecular weight of 418.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 1088996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).