3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C19H20N2O2S2 — CID 113086693

IUPAC3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCCc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)s1
InChIInChI=1S/C19H20N2O2S2/c1-2-15-7-8-19(24-15)25(22,23)21-11-9-14(10-12-21)17-13-20-18-6-4-3-5-16(17)18/h3-9,13,20H,2,10-12H2,1H3
InChIKeyCRGADUJYRDBQNI-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.27
Rot. Bonds4

About 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 113086693) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID113086693
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC Name3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCCc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)s1
InChIInChI=1S/C19H20N2O2S2/c1-2-15-7-8-19(24-15)25(22,23)21-11-9-14(10-12-21)17-13-20-18-6-4-3-5-16(17)18/h3-9,13,20H,2,10-12H2,1H3
InChIKeyCRGADUJYRDBQNI-UHFFFAOYSA-N
XLogP4.27
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole 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 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 113086693) is 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is CCc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)s1.
What is the InChIKey of 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is CRGADUJYRDBQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-2-15-7-8-19(24-15)25(22,23)21-11-9-14(10-12-21)17-13-20-18-6-4-3-5-16(17)18/h3-9,13,20H,2,10-12H2,1H3.
What are the key properties of 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 372.52 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 113086693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).