N-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide

C21H26N3O2S+ — CID 9451117

IUPACN-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide
SMILESO=C(C[NH+]1CCc2sccc2[C@H]1c1ccccc1)NC(=O)NC1CCCC1
InChIInChI=1S/C21H25N3O2S/c25-19(23-21(26)22-16-8-4-5-9-16)14-24-12-10-18-17(11-13-27-18)20(24)15-6-2-1-3-7-15/h1-3,6-7,11,13,16,20H,4-5,8-10,12,14H2,(H2,22,23,25,26)/p+1/t20-/m1/s1
InChIKeyYCHLOHLLXVJEMT-HXUWFJFHSA-O
MW384.53 g/mol
LogP2.05
Rot. Bonds4

About N-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide

N-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide (PubChem CID 9451117) has the molecular formula C21H26N3O2S+ and a molecular weight of 384.53 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide
PubChem CID9451117
Molecular FormulaC21H26N3O2S+
Molecular Weight384.53 g/mol
Exact Mass384.17
IUPAC NameN-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide
SMILESO=C(C[NH+]1CCc2sccc2[C@H]1c1ccccc1)NC(=O)NC1CCCC1
InChIInChI=1S/C21H25N3O2S/c25-19(23-21(26)22-16-8-4-5-9-16)14-24-12-10-18-17(11-13-27-18)20(24)15-6-2-1-3-7-15/h1-3,6-7,11,13,16,20H,4-5,8-10,12,14H2,(H2,22,23,25,26)/p+1/t20-/m1/s1
InChIKeyYCHLOHLLXVJEMT-HXUWFJFHSA-O
XLogP2.05
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-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-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide (CID 9451117) is N-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide is O=C(C[NH+]1CCc2sccc2[C@H]1c1ccccc1)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide?
The InChIKey is YCHLOHLLXVJEMT-HXUWFJFHSA-O. The full InChI is InChI=1S/C21H25N3O2S/c25-19(23-21(26)22-16-8-4-5-9-16)14-24-12-10-18-17(11-13-27-18)20(24)15-6-2-1-3-7-15/h1-3,6-7,11,13,16,20H,4-5,8-10,12,14H2,(H2,22,23,25,26)/p+1/t20-/m1/s1.
What are the key properties of N-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide?
N-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide has a molecular weight of 384.53 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[(4R)-4-phenyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide is sourced from PubChem (CID 9451117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).