2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide

C29H27ClN2O6S — CID 126120164

IUPAC2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)c2cc(Cl)ccc2OC)cc1OC
InChIInChI=1S/C29H27ClN2O6S/c1-36-26-15-13-21(30)17-25(26)32(39(34,35)22-14-16-27(37-2)28(18-22)38-3)19-29(33)31-24-12-8-7-11-23(24)20-9-5-4-6-10-20/h4-18H,19H2,1-3H3,(H,31,33)
InChIKeyFYZSVNYXXSDRGE-UHFFFAOYSA-N
MW567.06 g/mol
LogP5.87
Rot. Bonds10

About 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide

2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide (PubChem CID 126120164) has the molecular formula C29H27ClN2O6S and a molecular weight of 567.06 g/mol. Its IUPAC name is 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
PubChem CID126120164
Molecular FormulaC29H27ClN2O6S
Molecular Weight567.06 g/mol
Exact Mass566.13
IUPAC Name2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)c2cc(Cl)ccc2OC)cc1OC
InChIInChI=1S/C29H27ClN2O6S/c1-36-26-15-13-21(30)17-25(26)32(39(34,35)22-14-16-27(37-2)28(18-22)38-3)19-29(33)31-24-12-8-7-11-23(24)20-9-5-4-6-10-20/h4-18H,19H2,1-3H3,(H,31,33)
InChIKeyFYZSVNYXXSDRGE-UHFFFAOYSA-N
XLogP5.87
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.06
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-(2-phenylphenyl)acetamide
CID 126187415
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1372126
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 43891741
N-[(2R)-butan-2-yl]-2-[[2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)acetyl]amino]benzamide
CID 126121734
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 2565728
N-(4-bromo-2-fluorophenyl)-2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)acetamide
CID 126271501
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide
CID 1314332
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 43891744
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51344853
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-pyridin-3-ylacetamide
CID 1000621
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-phenylphenyl)acetamide
CID 126123999
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 43880423

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide (CID 126120164) is 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)c2cc(Cl)ccc2OC)cc1OC.
What is the InChIKey of 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide?
The InChIKey is FYZSVNYXXSDRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN2O6S/c1-36-26-15-13-21(30)17-25(26)32(39(34,35)22-14-16-27(37-2)28(18-22)38-3)19-29(33)31-24-12-8-7-11-23(24)20-9-5-4-6-10-20/h4-18H,19H2,1-3H3,(H,31,33).
What are the key properties of 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide?
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide has a molecular weight of 567.06 g/mol, XLogP of 5.87, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 126120164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).