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

C20H23N3O2S2 — CID 57400828

IUPACN-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-3-sulfonamide
SMILESO=S(=O)(NCCCCN1CCc2sccc2C1)c1cnc2ccccc2c1
InChIInChI=1S/C20H23N3O2S2/c24-27(25,18-13-16-5-1-2-6-19(16)21-14-18)22-9-3-4-10-23-11-7-20-17(15-23)8-12-26-20/h1-2,5-6,8,12-14,22H,3-4,7,9-11,15H2
InChIKeyKNXYPLSGYHZXCL-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-3-sulfonamide

N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-3-sulfonamide (PubChem CID 57400828) 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-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-3-sulfonamide
PubChem CID57400828
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-3-sulfonamide
SMILESO=S(=O)(NCCCCN1CCc2sccc2C1)c1cnc2ccccc2c1
InChIInChI=1S/C20H23N3O2S2/c24-27(25,18-13-16-5-1-2-6-19(16)21-14-18)22-9-3-4-10-23-11-7-20-17(15-23)8-12-26-20/h1-2,5-6,8,12-14,22H,3-4,7,9-11,15H2
InChIKeyKNXYPLSGYHZXCL-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-3-sulfonamide with MolForge

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Related Compounds

1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
N-(quinolin-8-yl)thiophene-2-sulfonamide
CID 830459
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
2-(3-(phenylsulfonyl)-1H-indol-1-yl)ethanamine
CID 10017687
3-(phenylsulfonyl)-1-(piperidin-3-yl)-1H-indole
CID 10042892
3-(phenylsulfonyl)-1-(piperidin-4-yl)-1H-indole
CID 10246639
3-(phenylsulfonyl)-1H-indole, 18i
CID 24861250
1-Benzenesulfonyl-3-piperidin-4-yl-1H-indole
CID 44388931
3-(phenylsulfonyl)-1H-indole, 33c
CID 44473060
Gsk872
CID 54674134
5-[(2R)-2-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]pyrrolidin-1-yl]sulfonylquinoline
CID 118626129
4-[(2R)-2-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]pyrrolidin-1-yl]sulfonylisoquinoline
CID 118626142

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-3-sulfonamide?
The IUPAC name of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-3-sulfonamide (CID 57400828) is N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-3-sulfonamide.
What is the SMILES notation for N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-3-sulfonamide?
The canonical SMILES for N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-3-sulfonamide is O=S(=O)(NCCCCN1CCc2sccc2C1)c1cnc2ccccc2c1.
What is the InChIKey of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-3-sulfonamide?
The InChIKey is KNXYPLSGYHZXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S2/c24-27(25,18-13-16-5-1-2-6-19(16)21-14-18)22-9-3-4-10-23-11-7-20-17(15-23)8-12-26-20/h1-2,5-6,8,12-14,22H,3-4,7,9-11,15H2.
What are the key properties of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-3-sulfonamide?
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-3-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-3-sulfonamide is sourced from PubChem (CID 57400828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).