2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide

C17H18ClN3O5S — CID 126030283

IUPAC2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(N)=O)S(C)(=O)=O
InChIInChI=1S/C17H18ClN3O5S/c1-26-15-8-7-11(18)9-14(15)21(27(2,24)25)10-16(22)20-13-6-4-3-5-12(13)17(19)23/h3-9H,10H2,1-2H3,(H2,19,23)(H,20,22)
InChIKeyCNEYGXDQPFCJGV-UHFFFAOYSA-N
MW411.87 g/mol
LogP1.85
Rot. Bonds7

About 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide

2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide (PubChem CID 126030283) has the molecular formula C17H18ClN3O5S and a molecular weight of 411.87 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
PubChem CID126030283
Molecular FormulaC17H18ClN3O5S
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC Name2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(N)=O)S(C)(=O)=O
InChIInChI=1S/C17H18ClN3O5S/c1-26-15-8-7-11(18)9-14(15)21(27(2,24)25)10-16(22)20-13-6-4-3-5-12(13)17(19)23/h3-9H,10H2,1-2H3,(H2,19,23)(H,20,22)
InChIKeyCNEYGXDQPFCJGV-UHFFFAOYSA-N
XLogP1.85
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]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

ethyl 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 994330
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 998403
ethyl 2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]benzoate
CID 1372928
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 904036
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1343105
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 51342871
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1372126
N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 2175101
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126139167
N-[(2R)-butan-2-yl]-2-[[2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)acetyl]amino]benzamide
CID 126121734
2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide
CID 30276893
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890597

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide (CID 126030283) is 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide is COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(N)=O)S(C)(=O)=O.
What is the InChIKey of 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide?
The InChIKey is CNEYGXDQPFCJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O5S/c1-26-15-8-7-11(18)9-14(15)21(27(2,24)25)10-16(22)20-13-6-4-3-5-12(13)17(19)23/h3-9H,10H2,1-2H3,(H2,19,23)(H,20,22).
What are the key properties of 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide?
2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide has a molecular weight of 411.87 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 126030283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).