N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide

C20H23N3O2S2 — CID 57393877

IUPACN-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide
SMILESO=S(=O)(NCCCCN1CCc2sccc2C1)c1ccc2cccnc2c1
InChIInChI=1S/C20H23N3O2S2/c24-27(25,18-6-5-16-4-3-9-21-19(16)14-18)22-10-1-2-11-23-12-7-20-17(15-23)8-13-26-20/h3-6,8-9,13-14,22H,1-2,7,10-12,15H2
InChIKeyPXJKEKFBLZNFNX-UHFFFAOYSA-N
MW401.56 g/mol
LogP3.41
Rot. Bonds7

About N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide

N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide (PubChem CID 57393877) has the molecular formula C20H23N3O2S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide.

Molecular Properties

Compound NameN-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide
PubChem CID57393877
Molecular FormulaC20H23N3O2S2
Molecular Weight401.56 g/mol
Exact Mass401.12
IUPAC NameN-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide
SMILESO=S(=O)(NCCCCN1CCc2sccc2C1)c1ccc2cccnc2c1
InChIInChI=1S/C20H23N3O2S2/c24-27(25,18-6-5-16-4-3-9-21-19(16)14-18)22-10-1-2-11-23-12-7-20-17(15-23)8-13-26-20/h3-6,8-9,13-14,22H,1-2,7,10-12,15H2
InChIKeyPXJKEKFBLZNFNX-UHFFFAOYSA-N
XLogP3.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide 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-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide?
The IUPAC name of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide (CID 57393877) is N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide.
What is the SMILES notation for N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide?
The canonical SMILES for N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide is O=S(=O)(NCCCCN1CCc2sccc2C1)c1ccc2cccnc2c1.
What is the InChIKey of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide?
The InChIKey is PXJKEKFBLZNFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S2/c24-27(25,18-6-5-16-4-3-9-21-19(16)14-18)22-10-1-2-11-23-12-7-20-17(15-23)8-13-26-20/h3-6,8-9,13-14,22H,1-2,7,10-12,15H2.
What are the key properties of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide?
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide has a molecular weight of 401.56 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-7-sulfonamide is sourced from PubChem (CID 57393877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).