2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

C19H17N3O3S2 — CID 5335834

IUPAC2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C\c1cccs1
InChIInChI=1S/C19H17N3O3S2/c23-19(21-20-14-17-10-7-13-26-17)15-22(16-8-3-1-4-9-16)27(24,25)18-11-5-2-6-12-18/h1-14H,15H2,(H,21,23)/b20-14-
InChIKeyZNQWLLVVFFJFRR-ZHZULCJRSA-N
MW399.50 g/mol
LogP3.09
Rot. Bonds7

About 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 5335834) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID5335834
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Name2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C\c1cccs1
InChIInChI=1S/C19H17N3O3S2/c23-19(21-20-14-17-10-7-13-26-17)15-22(16-8-3-1-4-9-16)27(24,25)18-11-5-2-6-12-18/h1-14H,15H2,(H,21,23)/b20-14-
InChIKeyZNQWLLVVFFJFRR-ZHZULCJRSA-N
XLogP3.09
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.09
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-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 126035504
2-[N-(benzenesulfonyl)anilino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 94838040
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 5335350
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 94838129
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 126191489
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135515655
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4200669
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 2249406
2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137077806
2-[N-(benzenesulfonyl)anilino]-N-[(Z)-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 98060289
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 126035335
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 98049528

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (CID 5335834) is 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C\c1cccs1.
What is the InChIKey of 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is ZNQWLLVVFFJFRR-ZHZULCJRSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c23-19(21-20-14-17-10-7-13-26-17)15-22(16-8-3-1-4-9-16)27(24,25)18-11-5-2-6-12-18/h1-14H,15H2,(H,21,23)/b20-14-.
What are the key properties of 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 399.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5335834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).