4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide

C17H18ClN3O5S — CID 22305357

IUPAC4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCOc1c(NCC(=O)Nc2ccc(C(N)=O)cc2)cc(Cl)cc1S(C)(=O)=O
InChIInChI=1S/C17H18ClN3O5S/c1-26-16-13(7-11(18)8-14(16)27(2,24)25)20-9-15(22)21-12-5-3-10(4-6-12)17(19)23/h3-8,20H,9H2,1-2H3,(H2,19,23)(H,21,22)
InChIKeyAWYSYVNJPPQUSK-UHFFFAOYSA-N
MW411.87 g/mol
LogP1.90
Rot. Bonds7

About 4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide

4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide (PubChem CID 22305357) has the molecular formula C17H18ClN3O5S and a molecular weight of 411.87 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide
PubChem CID22305357
Molecular FormulaC17H18ClN3O5S
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC Name4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCOc1c(NCC(=O)Nc2ccc(C(N)=O)cc2)cc(Cl)cc1S(C)(=O)=O
InChIInChI=1S/C17H18ClN3O5S/c1-26-16-13(7-11(18)8-14(16)27(2,24)25)20-9-15(22)21-12-5-3-10(4-6-12)17(19)23/h3-8,20H,9H2,1-2H3,(H2,19,23)(H,21,22)
InChIKeyAWYSYVNJPPQUSK-UHFFFAOYSA-N
XLogP1.90
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 46633585
4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide
CID 17402450
2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 22304049
4-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 37474850
4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
CID 56784810
methyl 2-[[2-(5-chloro-2-methyl-3-methylsulfonylanilino)acetyl]amino]benzoate
CID 22304180
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide
CID 46537886
N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide
CID 56578585
4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide
CID 46511009
2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 22304304
methyl 3-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]benzoate
CID 36587024
4-[[2-(2,4,6-trichlorophenoxy)acetyl]amino]benzamide
CID 7894268

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide (CID 22305357) is 4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide is COc1c(NCC(=O)Nc2ccc(C(N)=O)cc2)cc(Cl)cc1S(C)(=O)=O.
What is the InChIKey of 4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide?
The InChIKey is AWYSYVNJPPQUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O5S/c1-26-16-13(7-11(18)8-14(16)27(2,24)25)20-9-15(22)21-12-5-3-10(4-6-12)17(19)23/h3-8,20H,9H2,1-2H3,(H2,19,23)(H,21,22).
What are the key properties of 4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide?
4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide has a molecular weight of 411.87 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 22305357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).