N-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide

C17H20ClN3OS — CID 16778792

IUPACN-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
SMILESNc1ccc(Cl)cc1NC(=O)CCCN1CCc2sccc2C1
InChIInChI=1S/C17H20ClN3OS/c18-13-3-4-14(19)15(10-13)20-17(22)2-1-7-21-8-5-16-12(11-21)6-9-23-16/h3-4,6,9-10H,1-2,5,7-8,11,19H2,(H,20,22)
InChIKeyMFQCZEYEXOHUDG-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.76
Rot. Bonds5

About N-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide

N-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide (PubChem CID 16778792) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
PubChem CID16778792
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC NameN-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
SMILESNc1ccc(Cl)cc1NC(=O)CCCN1CCc2sccc2C1
InChIInChI=1S/C17H20ClN3OS/c18-13-3-4-14(19)15(10-13)20-17(22)2-1-7-21-8-5-16-12(11-21)6-9-23-16/h3-4,6,9-10H,1-2,5,7-8,11,19H2,(H,20,22)
InChIKeyMFQCZEYEXOHUDG-UHFFFAOYSA-N
XLogP3.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide 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

N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide
CID 16779496
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-naphthalen-1-ylpropanamide
CID 24596310
N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206390
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-phenylphenyl)propanamide
CID 24596314
N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide
CID 16788832
N-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18008469
N-(2-amino-5-chlorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16786560
N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 28526956
N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide
CID 28823865
N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999
3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide
CID 120612672
N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 43375514

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide (CID 16778792) is N-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide is Nc1ccc(Cl)cc1NC(=O)CCCN1CCc2sccc2C1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide?
The InChIKey is MFQCZEYEXOHUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c18-13-3-4-14(19)15(10-13)20-17(22)2-1-7-21-8-5-16-12(11-21)6-9-23-16/h3-4,6,9-10H,1-2,5,7-8,11,19H2,(H,20,22).
What are the key properties of N-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide?
N-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide has a molecular weight of 349.89 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide is sourced from PubChem (CID 16778792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).