3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

C24H21N3O3S2 — CID 44943986

IUPAC3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1ccc2nc(N(/N=C/c3ccccc3)C(=O)CCS(=O)(=O)c3ccccc3)sc2c1
InChIInChI=1S/C24H21N3O3S2/c1-18-12-13-21-22(16-18)31-24(26-21)27(25-17-19-8-4-2-5-9-19)23(28)14-15-32(29,30)20-10-6-3-7-11-20/h2-13,16-17H,14-15H2,1H3/b25-17+
InChIKeyKOCSAONZNFVIPA-KOEQRZSOSA-N
MW463.58 g/mol
LogP4.84
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 44943986) has the molecular formula C24H21N3O3S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID44943986
Molecular FormulaC24H21N3O3S2
Molecular Weight463.58 g/mol
Exact Mass463.10
IUPAC Name3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1ccc2nc(N(/N=C/c3ccccc3)C(=O)CCS(=O)(=O)c3ccccc3)sc2c1
InChIInChI=1S/C24H21N3O3S2/c1-18-12-13-21-22(16-18)31-24(26-21)27(25-17-19-8-4-2-5-9-19)23(28)14-15-32(29,30)20-10-6-3-7-11-20/h2-13,16-17H,14-15H2,1H3/b25-17+
InChIKeyKOCSAONZNFVIPA-KOEQRZSOSA-N
XLogP4.84
TPSA79.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.84
H-Bond Donors ≤ 50
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'}

Analyze 3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonyl)-N-[(E)-(4-bromophenyl)methylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 44945292
N-[(E)-benzylideneamino]-4-(dimethylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 44943916
N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 44944176
N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16829540
4-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 18585670
N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitrothiophene-2-carboxamide
CID 44943920
N-[(E)-benzylideneamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 44942686
N-[(E)-benzylideneamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 44942772
N-[(E)-(4-bromophenyl)methylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 44944018
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 44942082
4-(benzenesulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 41087174
N-[(E)-benzylideneamino]-4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 44943973

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (CID 44943986) is 3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide is Cc1ccc2nc(N(/N=C/c3ccccc3)C(=O)CCS(=O)(=O)c3ccccc3)sc2c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is KOCSAONZNFVIPA-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H21N3O3S2/c1-18-12-13-21-22(16-18)31-24(26-21)27(25-17-19-8-4-2-5-9-19)23(28)14-15-32(29,30)20-10-6-3-7-11-20/h2-13,16-17H,14-15H2,1H3/b25-17+.
What are the key properties of 3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 463.58 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 44943986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).