N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide

C19H29N3OS — CID 87054451

IUPACN-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
SMILESCCN1CCC(CCNC(=O)c2cc3cn(C(C)C)cc3s2)CC1
InChIInChI=1S/C19H29N3OS/c1-4-21-9-6-15(7-10-21)5-8-20-19(23)17-11-16-12-22(14(2)3)13-18(16)24-17/h11-15H,4-10H2,1-3H3,(H,20,23)
InChIKeyLEPXUSGEPIQBOM-UHFFFAOYSA-N
MW347.53 g/mol
LogP4.14
Rot. Bonds6

About N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide

N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 87054451) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
PubChem CID87054451
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC NameN-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
SMILESCCN1CCC(CCNC(=O)c2cc3cn(C(C)C)cc3s2)CC1
InChIInChI=1S/C19H29N3OS/c1-4-21-9-6-15(7-10-21)5-8-20-19(23)17-11-16-12-22(14(2)3)13-18(16)24-17/h11-15H,4-10H2,1-3H3,(H,20,23)
InChIKeyLEPXUSGEPIQBOM-UHFFFAOYSA-N
XLogP4.14
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide 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-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide (CID 87054451) is N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide is CCN1CCC(CCNC(=O)c2cc3cn(C(C)C)cc3s2)CC1.
What is the InChIKey of N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is LEPXUSGEPIQBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OS/c1-4-21-9-6-15(7-10-21)5-8-20-19(23)17-11-16-12-22(14(2)3)13-18(16)24-17/h11-15H,4-10H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 347.53 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 87054451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).