N-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

C17H15N3O3S3 — CID 6116707

IUPACN-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESC/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1cccs1
InChIInChI=1S/C17H15N3O3S3/c1-12(15-4-2-10-24-15)18-19-17(21)13-6-8-14(9-7-13)20-26(22,23)16-5-3-11-25-16/h2-11,20H,1H3,(H,19,21)/b18-12+
InChIKeyPLWGRCLZXSWXTB-LDADJPATSA-N
MW405.53 g/mol
LogP3.76
Rot. Bonds6

About N-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 6116707) has the molecular formula C17H15N3O3S3 and a molecular weight of 405.53 g/mol. Its IUPAC name is N-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID6116707
Molecular FormulaC17H15N3O3S3
Molecular Weight405.53 g/mol
Exact Mass405.03
IUPAC NameN-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESC/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1cccs1
InChIInChI=1S/C17H15N3O3S3/c1-12(15-4-2-10-24-15)18-19-17(21)13-6-8-14(9-7-13)20-26(22,23)16-5-3-11-25-16/h2-11,20H,1H3,(H,19,21)/b18-12+
InChIKeyPLWGRCLZXSWXTB-LDADJPATSA-N
XLogP3.76
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 ≤ 53.76
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-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2348373
N-[4-(1-benzoyl-5-thien-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]methanesulfonamide
CID 5199866
N-[(E)-1-phenylethylideneamino]-4-(2-thienylsulfonylamino)benzamide
CID 9623759
N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 9627167
3-[(3-chlorophenyl)sulfamoyl]-N-(1-thiophen-2-ylethylideneamino)benzamide
CID 9640681
N-[(4-acetamidophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2355884
N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2389550
N-[(E)-1-naphthalen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 9655331
N-[(Z)-(3-oxocyclohexylidene)amino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 5794256
N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 5994088
N-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 6109773
N-[(E)-(4-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6902931

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 6116707) is N-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1cccs1.
What is the InChIKey of N-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is PLWGRCLZXSWXTB-LDADJPATSA-N. The full InChI is InChI=1S/C17H15N3O3S3/c1-12(15-4-2-10-24-15)18-19-17(21)13-6-8-14(9-7-13)20-26(22,23)16-5-3-11-25-16/h2-11,20H,1H3,(H,19,21)/b18-12+.
What are the key properties of N-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 405.53 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 6116707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).