N-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide

C19H20N3OS+ — CID 9002056

IUPACN-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide
SMILESN#Cc1cccc(NC(=O)C[NH+]2CCc3sccc3[C@@H]2C2CC2)c1
InChIInChI=1S/C19H19N3OS/c20-11-13-2-1-3-15(10-13)21-18(23)12-22-8-6-17-16(7-9-24-17)19(22)14-4-5-14/h1-3,7,9-10,14,19H,4-6,8,12H2,(H,21,23)/p+1/t19-/m0/s1
InChIKeyJGUUYHVIOPTBLE-IBGZPJMESA-O
MW338.46 g/mol
LogP2.15
Rot. Bonds4

About N-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide

N-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide (PubChem CID 9002056) has the molecular formula C19H20N3OS+ and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide
PubChem CID9002056
Molecular FormulaC19H20N3OS+
Molecular Weight338.46 g/mol
Exact Mass338.13
IUPAC NameN-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide
SMILESN#Cc1cccc(NC(=O)C[NH+]2CCc3sccc3[C@@H]2C2CC2)c1
InChIInChI=1S/C19H19N3OS/c20-11-13-2-1-3-15(10-13)21-18(23)12-22-8-6-17-16(7-9-24-17)19(22)14-4-5-14/h1-3,7,9-10,14,19H,4-6,8,12H2,(H,21,23)/p+1/t19-/m0/s1
InChIKeyJGUUYHVIOPTBLE-IBGZPJMESA-O
XLogP2.15
TPSA57.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-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

Related Compounds

2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-(2,5-dichlorophenyl)acetamide
CID 9002026
2-[(4R)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9001922
N-(3-methoxyphenyl)-2-[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide
CID 8999717
N-(2-chloro-4-methylphenyl)-2-[(4R)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide
CID 9001884
2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940580
N-(3-cyanophenyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 17492979
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
N-(3,5-dimethylphenyl)-2-[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide
CID 8999842
N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 8899697
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
dimethyl 5-[[2-[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 9000301

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide (CID 9002056) is N-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide is N#Cc1cccc(NC(=O)C[NH+]2CCc3sccc3[C@@H]2C2CC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide?
The InChIKey is JGUUYHVIOPTBLE-IBGZPJMESA-O. The full InChI is InChI=1S/C19H19N3OS/c20-11-13-2-1-3-15(10-13)21-18(23)12-22-8-6-17-16(7-9-24-17)19(22)14-4-5-14/h1-3,7,9-10,14,19H,4-6,8,12H2,(H,21,23)/p+1/t19-/m0/s1.
What are the key properties of N-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide?
N-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide has a molecular weight of 338.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide is sourced from PubChem (CID 9002056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).