N-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide

C17H17N3OS — CID 46925876

IUPACN-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1-c1cc3ccccc3[nH]1)CCNC2
InChIInChI=1S/C17H17N3OS/c1-10(21)19-17-16(12-6-7-18-9-15(12)22-17)14-8-11-4-2-3-5-13(11)20-14/h2-5,8,18,20H,6-7,9H2,1H3,(H,19,21)
InChIKeyAQKLFGIBGSGUHR-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.50
Rot. Bonds2

About N-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide

N-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide (PubChem CID 46925876) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide
PubChem CID46925876
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1-c1cc3ccccc3[nH]1)CCNC2
InChIInChI=1S/C17H17N3OS/c1-10(21)19-17-16(12-6-7-18-9-15(12)22-17)14-8-11-4-2-3-5-13(11)20-14/h2-5,8,18,20H,6-7,9H2,1H3,(H,19,21)
InChIKeyAQKLFGIBGSGUHR-UHFFFAOYSA-N
XLogP3.50
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-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-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide (CID 46925876) is N-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide is CC(=O)Nc1sc2c(c1-c1cc3ccccc3[nH]1)CCNC2.
What is the InChIKey of N-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide?
The InChIKey is AQKLFGIBGSGUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-10(21)19-17-16(12-6-7-18-9-15(12)22-17)14-8-11-4-2-3-5-13(11)20-14/h2-5,8,18,20H,6-7,9H2,1H3,(H,19,21).
What are the key properties of N-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide?
N-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide has a molecular weight of 311.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 46925876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).