2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide

C22H23N3O3S2 — CID 126034557

IUPAC2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
SMILESCCc1ccc(N(CC(=O)N/N=C(/C)c2cccs2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H23N3O3S2/c1-3-18-11-13-19(14-12-18)25(30(27,28)20-8-5-4-6-9-20)16-22(26)24-23-17(2)21-10-7-15-29-21/h4-15H,3,16H2,1-2H3,(H,24,26)/b23-17-
InChIKeyHNSOJFCTVUYLNC-QJOMJCCJSA-N
MW441.58 g/mol
LogP4.05
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide

2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide (PubChem CID 126034557) has the molecular formula C22H23N3O3S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
PubChem CID126034557
Molecular FormulaC22H23N3O3S2
Molecular Weight441.58 g/mol
Exact Mass441.12
IUPAC Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
SMILESCCc1ccc(N(CC(=O)N/N=C(/C)c2cccs2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H23N3O3S2/c1-3-18-11-13-19(14-12-18)25(30(27,28)20-8-5-4-6-9-20)16-22(26)24-23-17(2)21-10-7-15-29-21/h4-15H,3,16H2,1-2H3,(H,24,26)/b23-17-
InChIKeyHNSOJFCTVUYLNC-QJOMJCCJSA-N
XLogP4.05
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 126144613
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 126030742
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 3371590
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 27046938
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 5340275
N-[3-[(Z)-N-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-C-methylcarbonimidoyl]phenyl]-3-chlorobenzamide
CID 126034637
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 126035335
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-cyclopropylacetamide
CID 126034868
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 126033735
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1318042
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 43879032
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126032264

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide (CID 126034557) is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide is CCc1ccc(N(CC(=O)N/N=C(/C)c2cccs2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The InChIKey is HNSOJFCTVUYLNC-QJOMJCCJSA-N. The full InChI is InChI=1S/C22H23N3O3S2/c1-3-18-11-13-19(14-12-18)25(30(27,28)20-8-5-4-6-9-20)16-22(26)24-23-17(2)21-10-7-15-29-21/h4-15H,3,16H2,1-2H3,(H,24,26)/b23-17-.
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide has a molecular weight of 441.58 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide is sourced from PubChem (CID 126034557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).