N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride

C17H22ClN3O3S2 — CID 119408776

IUPACN-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride
SMILESCl.NCCCNC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1
InChIInChI=1S/C17H21N3O3S2.ClH/c18-7-2-8-19-17(21)13-3-1-4-15(11-13)25(22,23)20-9-5-16-14(12-20)6-10-24-16;/h1,3-4,6,10-11H,2,5,7-9,12,18H2,(H,19,21);1H
InChIKeyPVAPBHKDJZLMJR-UHFFFAOYSA-N
MW415.97 g/mol
LogP2.00
Rot. Bonds6

About N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride

N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride (PubChem CID 119408776) has the molecular formula C17H22ClN3O3S2 and a molecular weight of 415.97 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride
PubChem CID119408776
Molecular FormulaC17H22ClN3O3S2
Molecular Weight415.97 g/mol
Exact Mass415.08
IUPAC NameN-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride
SMILESCl.NCCCNC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1
InChIInChI=1S/C17H21N3O3S2.ClH/c18-7-2-8-19-17(21)13-3-1-4-15(11-13)25(22,23)20-9-5-16-14(12-20)6-10-24-16;/h1,3-4,6,10-11H,2,5,7-9,12,18H2,(H,19,21);1H
InChIKeyPVAPBHKDJZLMJR-UHFFFAOYSA-N
XLogP2.00
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride 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

methyl 7-[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]heptanoate
CID 46441919
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide
CID 38012277
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(2-phenoxyethyl)benzamide
CID 32935559
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55977376
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832035
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(thiophen-3-ylmethyl)benzamide
CID 55688312
3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 32919519
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 33160615
N-butyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 26590878
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 39695193
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide
CID 46577696
N-(2,3-dihydro-1H-inden-5-yl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide
CID 46586516

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride (CID 119408776) is N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride is Cl.NCCCNC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1.
What is the InChIKey of N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride?
The InChIKey is PVAPBHKDJZLMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2.ClH/c18-7-2-8-19-17(21)13-3-1-4-15(11-13)25(22,23)20-9-5-16-14(12-20)6-10-24-16;/h1,3-4,6,10-11H,2,5,7-9,12,18H2,(H,19,21);1H.
What are the key properties of N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride?
N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride has a molecular weight of 415.97 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride is sourced from PubChem (CID 119408776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).