N-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide

C19H18N4O5S5 — CID 5167189

IUPACN-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NN=C1CCSC1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H18N4O5S5/c24-19(21-20-14-5-8-29-12-14)13-9-15(22-32(25,26)17-3-1-6-30-17)11-16(10-13)23-33(27,28)18-4-2-7-31-18/h1-4,6-7,9-11,22-23H,5,8,12H2,(H,21,24)
InChIKeyMZIOXMQENMUGQS-UHFFFAOYSA-N
MW542.71 g/mol
LogP3.63
Rot. Bonds8

About N-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide

N-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 5167189) has the molecular formula C19H18N4O5S5 and a molecular weight of 542.71 g/mol. Its IUPAC name is N-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
PubChem CID5167189
Molecular FormulaC19H18N4O5S5
Molecular Weight542.71 g/mol
Exact Mass541.99
IUPAC NameN-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NN=C1CCSC1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H18N4O5S5/c24-19(21-20-14-5-8-29-12-14)13-9-15(22-32(25,26)17-3-1-6-30-17)11-16(10-13)23-33(27,28)18-4-2-7-31-18/h1-4,6-7,9-11,22-23H,5,8,12H2,(H,21,24)
InChIKeyMZIOXMQENMUGQS-UHFFFAOYSA-N
XLogP3.63
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.71
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide 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

N-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 6519249
N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 2386135
N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 2336673
N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 2354546
(2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate
CID 86641213
(3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25043128
(3,3-dimethyl-2-oxobutyl) 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25037570
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 135745545
N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 4070087
N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 26872757
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18206532

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide (CID 5167189) is N-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is O=C(NN=C1CCSC1)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is MZIOXMQENMUGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S5/c24-19(21-20-14-5-8-29-12-14)13-9-15(22-32(25,26)17-3-1-6-30-17)11-16(10-13)23-33(27,28)18-4-2-7-31-18/h1-4,6-7,9-11,22-23H,5,8,12H2,(H,21,24).
What are the key properties of N-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
N-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 542.71 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 5167189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).