2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide

C18H22N4O3S2 — CID 9237380

IUPAC2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)N/N=C\c1ccc(N2CCCCC2)s1
InChIInChI=1S/C18H22N4O3S2/c23-17(14-20-27(24,25)16-7-3-1-4-8-16)21-19-13-15-9-10-18(26-15)22-11-5-2-6-12-22/h1,3-4,7-10,13,20H,2,5-6,11-12,14H2,(H,21,23)/b19-13-
InChIKeyRDEJSHNGBUYIRL-UYRXBGFRSA-N
MW406.53 g/mol
LogP2.17
Rot. Bonds7

About 2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide

2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 9237380) has the molecular formula C18H22N4O3S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
PubChem CID9237380
Molecular FormulaC18H22N4O3S2
Molecular Weight406.53 g/mol
Exact Mass406.11
IUPAC Name2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)N/N=C\c1ccc(N2CCCCC2)s1
InChIInChI=1S/C18H22N4O3S2/c23-17(14-20-27(24,25)16-7-3-1-4-8-16)21-19-13-15-9-10-18(26-15)22-11-5-2-6-12-22/h1,3-4,7-10,13,20H,2,5-6,11-12,14H2,(H,21,23)/b19-13-
InChIKeyRDEJSHNGBUYIRL-UYRXBGFRSA-N
XLogP2.17
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.17
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'}

Analyze 2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide 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

2-(benzenesulfonamido)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 9038855
2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
CID 8975880
2-(4-chlorophenoxy)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
CID 9358609
4-[[2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethyl]sulfamoyl]benzoic acid
CID 89116773
4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9060165
2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136678607
2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 9359487
2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 6279022
2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide
CID 44592036
3-ethyl-4-oxo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]phthalazine-1-carboxamide
CID 9462786
3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9460693
2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51061440

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide (CID 9237380) is 2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide is O=C(CNS(=O)(=O)c1ccccc1)N/N=C\c1ccc(N2CCCCC2)s1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is RDEJSHNGBUYIRL-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H22N4O3S2/c23-17(14-20-27(24,25)16-7-3-1-4-8-16)21-19-13-15-9-10-18(26-15)22-11-5-2-6-12-22/h1,3-4,7-10,13,20H,2,5-6,11-12,14H2,(H,21,23)/b19-13-.
What are the key properties of 2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide?
2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 406.53 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 9237380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).