N-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide

C20H18N2O2S2 — CID 2317504

IUPACN-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide
SMILESO=S(=O)(N=C(c1ccccc1)N1CCCc2ccccc21)c1cccs1
InChIInChI=1S/C20H18N2O2S2/c23-26(24,19-13-7-15-25-19)21-20(17-9-2-1-3-10-17)22-14-6-11-16-8-4-5-12-18(16)22/h1-5,7-10,12-13,15H,6,11,14H2
InChIKeyLUPZDHPOWIMUKE-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.34
Rot. Bonds3

About N-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide

N-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide (PubChem CID 2317504) has the molecular formula C20H18N2O2S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide
PubChem CID2317504
Molecular FormulaC20H18N2O2S2
Molecular Weight382.51 g/mol
Exact Mass382.08
IUPAC NameN-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide
SMILESO=S(=O)(N=C(c1ccccc1)N1CCCc2ccccc21)c1cccs1
InChIInChI=1S/C20H18N2O2S2/c23-26(24,19-13-7-15-25-19)21-20(17-9-2-1-3-10-17)22-14-6-11-16-8-4-5-12-18(16)22/h1-5,7-10,12-13,15H,6,11,14H2
InChIKeyLUPZDHPOWIMUKE-UHFFFAOYSA-N
XLogP4.34
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-benzhydrylidenethiophene-2-sulfonamide
CID 176730447
N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride
CID 3688340
N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47125506
N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 75459336
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5053534
N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69369112
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
(2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7994047
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400
(2R)-1-(2,3-dihydroindol-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one
CID 8512419
(2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7994046

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide?
The IUPAC name of N-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide (CID 2317504) is N-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide?
The canonical SMILES for N-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide is O=S(=O)(N=C(c1ccccc1)N1CCCc2ccccc21)c1cccs1.
What is the InChIKey of N-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide?
The InChIKey is LUPZDHPOWIMUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S2/c23-26(24,19-13-7-15-25-19)21-20(17-9-2-1-3-10-17)22-14-6-11-16-8-4-5-12-18(16)22/h1-5,7-10,12-13,15H,6,11,14H2.
What are the key properties of N-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide?
N-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide has a molecular weight of 382.51 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 2317504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).