3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide

C23H22ClN3O5S — CID 53280339

IUPAC3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(N)=O)c2C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H22ClN3O5S/c1-15-20(23(25)29)4-3-5-21(15)26-22(28)14-27(17-8-6-16(24)7-9-17)33(30,31)19-12-10-18(32-2)11-13-19/h3-13H,14H2,1-2H3,(H2,25,29)(H,26,28)
InChIKeyIYTNKZABSAGBMJ-UHFFFAOYSA-N
MW487.97 g/mol
LogP3.59
Rot. Bonds8

About 3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide

3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide (PubChem CID 53280339) has the molecular formula C23H22ClN3O5S and a molecular weight of 487.97 g/mol. Its IUPAC name is 3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide
PubChem CID53280339
Molecular FormulaC23H22ClN3O5S
Molecular Weight487.97 g/mol
Exact Mass487.10
IUPAC Name3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(N)=O)c2C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H22ClN3O5S/c1-15-20(23(25)29)4-3-5-21(15)26-22(28)14-27(17-8-6-16(24)7-9-17)33(30,31)19-12-10-18(32-2)11-13-19/h3-13H,14H2,1-2H3,(H2,25,29)(H,26,28)
InChIKeyIYTNKZABSAGBMJ-UHFFFAOYSA-N
XLogP3.59
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.97
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide
CID 53280491
2-methyl-3-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 53279437
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,3-dichlorophenyl)acetamide
CID 21372845
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 1295912
3-[[2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetyl]amino]-2-methylbenzamide
CID 53281172
N-(2,3-dimethylphenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 23883732
2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4882632
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-phenylacetamide
CID 1334368
N-(4-chlorophenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1099949
N-(2,5-dichlorophenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2206870
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 999545
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide
CID 126387507

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide?
The IUPAC name of 3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide (CID 53280339) is 3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide.
What is the SMILES notation for 3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide?
The canonical SMILES for 3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(N)=O)c2C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide?
The InChIKey is IYTNKZABSAGBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O5S/c1-15-20(23(25)29)4-3-5-21(15)26-22(28)14-27(17-8-6-16(24)7-9-17)33(30,31)19-12-10-18(32-2)11-13-19/h3-13H,14H2,1-2H3,(H2,25,29)(H,26,28).
What are the key properties of 3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide?
3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide has a molecular weight of 487.97 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide is sourced from PubChem (CID 53280339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).