2-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

C23H20N4O3S2 — CID 6260087

IUPAC2-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccs2)c2cccc3cccnc23)cc1
InChIInChI=1S/C23H20N4O3S2/c1-17-9-11-20(12-10-17)32(29,30)27(16-22(28)26-25-15-19-7-4-14-31-19)21-8-2-5-18-6-3-13-24-23(18)21/h2-15H,16H2,1H3,(H,26,28)/b25-15-
InChIKeyAMXYDRMRDOLNCY-MYYYXRDXSA-N
MW464.57 g/mol
LogP3.95
Rot. Bonds7

About 2-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

2-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 6260087) has the molecular formula C23H20N4O3S2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID6260087
Molecular FormulaC23H20N4O3S2
Molecular Weight464.57 g/mol
Exact Mass464.10
IUPAC Name2-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccs2)c2cccc3cccnc23)cc1
InChIInChI=1S/C23H20N4O3S2/c1-17-9-11-20(12-10-17)32(29,30)27(16-22(28)26-25-15-19-7-4-14-31-19)21-8-2-5-18-6-3-13-24-23(18)21/h2-15H,16H2,1H3,(H,26,28)/b25-15-
InChIKeyAMXYDRMRDOLNCY-MYYYXRDXSA-N
XLogP3.95
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(quinolin-8-yl)thiophene-2-sulfonamide
CID 830459
N-[4-(quinoxalin-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 25187694
4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide
CID 118873482
N-{2-[2-(4-fluorobenzylidene)hydrazino]-2-oxoethyl}-4-methyl-N-8-quinolinylbenzenesulfonamide (non-preferred name)
CID 5347362
2-[methyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 5309091
N-{2-[2-(3-chlorobenzylidene)hydrazino]-2-oxoethyl}-4-methyl-N-(8-quinolinyl)benzenesulfonamide
CID 9624218
4-methyl-N-{2-[2-(3-methylbenzylidene)hydrazino]-2-oxoethyl}-N-(8-quinolinyl)benzenesulfonamide
CID 9668714
3-Quinolyl(2-thienylsulfonyl)amine
CID 17352619
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(8-quinolyl)benzenesulfonamide
CID 22694337
N-[3-(2-quinoxalinyl)phenyl]-2-thiophenesulfonamide
CID 1485420
6-(1-(ethylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoxaline
CID 44117229
(Z)-N-quinolin-8-yl-5-thiophen-2-ylpent-4-enamide
CID 155797491

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (CID 6260087) is 2-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccs2)c2cccc3cccnc23)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is AMXYDRMRDOLNCY-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H20N4O3S2/c1-17-9-11-20(12-10-17)32(29,30)27(16-22(28)26-25-15-19-7-4-14-31-19)21-8-2-5-18-6-3-13-24-23(18)21/h2-15H,16H2,1H3,(H,26,28)/b25-15-.
What are the key properties of 2-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
2-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 464.57 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6260087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).