N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

C17H15N3O3S3 — CID 6305629

IUPACN-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccsc1/C=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H15N3O3S3/c1-12-8-10-24-15(12)11-18-19-17(21)13-5-2-3-6-14(13)20-26(22,23)16-7-4-9-25-16/h2-11,20H,1H3,(H,19,21)/b18-11-
InChIKeyKQVDEPXYKTZRFE-WQRHYEAKSA-N
MW405.53 g/mol
LogP3.68
Rot. Bonds6

About N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 6305629) has the molecular formula C17H15N3O3S3 and a molecular weight of 405.53 g/mol. Its IUPAC name is N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID6305629
Molecular FormulaC17H15N3O3S3
Molecular Weight405.53 g/mol
Exact Mass405.03
IUPAC NameN-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccsc1/C=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H15N3O3S3/c1-12-8-10-24-15(12)11-18-19-17(21)13-5-2-3-6-14(13)20-26(22,23)16-7-4-9-25-16/h2-11,20H,1H3,(H,19,21)/b18-11-
InChIKeyKQVDEPXYKTZRFE-WQRHYEAKSA-N
XLogP3.68
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 53.68
H-Bond Donors ≤ 52
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-[(Z)-(3-methylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6300716
N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6908136
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 136919028
N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2594546
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2118005
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6908128
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2594386
N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6893110
N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4537987
N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2402957
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide
CID 110518160
N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4139970

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (CID 6305629) is N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is Cc1ccsc1/C=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is KQVDEPXYKTZRFE-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H15N3O3S3/c1-12-8-10-24-15(12)11-18-19-17(21)13-5-2-3-6-14(13)20-26(22,23)16-7-4-9-25-16/h2-11,20H,1H3,(H,19,21)/b18-11-.
What are the key properties of N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 405.53 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 6305629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).