N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C24H24N2O3S2 — CID 27555251

IUPACN-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C(c1cccs1)N1CCCc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21
InChIInChI=1S/C24H24N2O3S2/c27-24(23-8-4-14-30-23)26-13-3-7-19-15-20(10-12-22(19)26)25-31(28,29)21-11-9-17-5-1-2-6-18(17)16-21/h4,8-12,14-16,25H,1-3,5-7,13H2
InChIKeyFDYQNZGAKBEGDM-UHFFFAOYSA-N
MW452.60 g/mol
LogP5.02
Rot. Bonds4

About N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 27555251) has the molecular formula C24H24N2O3S2 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID27555251
Molecular FormulaC24H24N2O3S2
Molecular Weight452.60 g/mol
Exact Mass452.12
IUPAC NameN-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C(c1cccs1)N1CCCc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21
InChIInChI=1S/C24H24N2O3S2/c27-24(23-8-4-14-30-23)26-13-3-7-19-15-20(10-12-22(19)26)25-31(28,29)21-11-9-17-5-1-2-6-18(17)16-21/h4,8-12,14-16,25H,1-3,5-7,13H2
InChIKeyFDYQNZGAKBEGDM-UHFFFAOYSA-N
XLogP5.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

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Related Compounds

4-fluoro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 7498891
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-sulfonamide
CID 43955678
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 27555241
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-ene-1-sulfonamide
CID 7498895
3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 27443773
2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 7517678
(7-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 51106151
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
2-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
CID 27558234
4-fluoro-3-methyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide
CID 16944128
[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-thiophen-2-ylmethanone
CID 58857201
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632

Frequently Asked Questions

What is the IUPAC name of N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 27555251) is N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=C(c1cccs1)N1CCCc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21.
What is the InChIKey of N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is FDYQNZGAKBEGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S2/c27-24(23-8-4-14-30-23)26-13-3-7-19-15-20(10-12-22(19)26)25-31(28,29)21-11-9-17-5-1-2-6-18(17)16-21/h4,8-12,14-16,25H,1-3,5-7,13H2.
What are the key properties of N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 452.60 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 27555251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).