N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

C20H19N3O5S2 — CID 6908128

IUPACN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1OC
InChIInChI=1S/C20H19N3O5S2/c1-27-17-10-5-7-14(19(17)28-2)13-21-22-20(24)15-8-3-4-9-16(15)23-30(25,26)18-11-6-12-29-18/h3-13,23H,1-2H3,(H,22,24)/b21-13+
InChIKeyUWSLUOSYRYNABE-FYJGNVAPSA-N
MW445.52 g/mol
LogP3.33
Rot. Bonds8

About N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 6908128) has the molecular formula C20H19N3O5S2 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID6908128
Molecular FormulaC20H19N3O5S2
Molecular Weight445.52 g/mol
Exact Mass445.08
IUPAC NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1OC
InChIInChI=1S/C20H19N3O5S2/c1-27-17-10-5-7-14(19(17)28-2)13-21-22-20(24)15-8-3-4-9-16(15)23-30(25,26)18-11-6-12-29-18/h3-13,23H,1-2H3,(H,22,24)/b21-13+
InChIKeyUWSLUOSYRYNABE-FYJGNVAPSA-N
XLogP3.33
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2594386
N-[(Z)-(3-methylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6300716
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6305629
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 136919028
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2118005
N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2594546
N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4537987
N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2329554
N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4139970
2-[2-fluoro-6-[[[5-methyl-2-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]methyl]phenoxy]propanoic acid
CID 171133766
2-[2-[[[5-chloro-2-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]methyl]-6-fluorophenoxy]propanoic acid
CID 171133768
N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6901733

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (CID 6908128) is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is COc1cccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1OC.
What is the InChIKey of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is UWSLUOSYRYNABE-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H19N3O5S2/c1-27-17-10-5-7-14(19(17)28-2)13-21-22-20(24)15-8-3-4-9-16(15)23-30(25,26)18-11-6-12-29-18/h3-13,23H,1-2H3,(H,22,24)/b21-13+.
What are the key properties of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 445.52 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 6908128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).