2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

C22H23N3O4S2 — CID 126191489

IUPAC2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)N/N=C\c1cccs1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H23N3O4S2/c1-16-6-9-19(10-7-16)31(27,28)25(20-13-17(2)8-11-21(20)29-3)15-22(26)24-23-14-18-5-4-12-30-18/h4-14H,15H2,1-3H3,(H,24,26)/b23-14-
InChIKeyKKKHEPJUACLQNN-UCQKPKSFSA-N
MW457.58 g/mol
LogP3.72
Rot. Bonds8

About 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 126191489) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID126191489
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC Name2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)N/N=C\c1cccs1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H23N3O4S2/c1-16-6-9-19(10-7-16)31(27,28)25(20-13-17(2)8-11-21(20)29-3)15-22(26)24-23-14-18-5-4-12-30-18/h4-14H,15H2,1-3H3,(H,24,26)/b23-14-
InChIKeyKKKHEPJUACLQNN-UCQKPKSFSA-N
XLogP3.72
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.72
H-Bond Donors ≤ 51
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-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]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-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 5335350
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 92644335
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136719029
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 126127497
N-[(Z)-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 124535282
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28589358
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-methylphenyl)acetamide
CID 30169948
N-(2,4-dimethylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172229
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1333379
2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5335834
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588796
methyl 2-[3-[(E)-[[2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 43876827

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (CID 126191489) is 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is COc1ccc(C)cc1N(CC(=O)N/N=C\c1cccs1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is KKKHEPJUACLQNN-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-16-6-9-19(10-7-16)31(27,28)25(20-13-17(2)8-11-21(20)29-3)15-22(26)24-23-14-18-5-4-12-30-18/h4-14H,15H2,1-3H3,(H,24,26)/b23-14-.
What are the key properties of 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 457.58 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 126191489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).