2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide

C22H22N2O5S — CID 998314

IUPAC2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C22H22N2O5S/c1-28-20-14-13-18(15-21(20)29-2)24(30(26,27)19-11-7-4-8-12-19)16-22(25)23-17-9-5-3-6-10-17/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyRMLMKMCEJNBIKR-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.54
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide

2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide (PubChem CID 998314) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide
PubChem CID998314
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C22H22N2O5S/c1-28-20-14-13-18(15-21(20)29-2)24(30(26,27)19-11-7-4-8-12-19)16-22(25)23-17-9-5-3-6-10-17/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyRMLMKMCEJNBIKR-UHFFFAOYSA-N
XLogP3.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 126273365
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 2174929
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-naphthalen-1-ylacetamide
CID 1099906
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2,4-dimethylphenyl)acetamide
CID 998643
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4164776
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide
CID 1206346
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 30170290
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30304615
methyl 3-[[2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetyl]amino]-2-methylbenzoate
CID 126329816
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3,4-dimethoxyphenyl)acetamide
CID 1099952
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881347
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 978493

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide (CID 998314) is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide is COc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide?
The InChIKey is RMLMKMCEJNBIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-28-20-14-13-18(15-21(20)29-2)24(30(26,27)19-11-7-4-8-12-19)16-22(25)23-17-9-5-3-6-10-17/h3-15H,16H2,1-2H3,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide?
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide has a molecular weight of 426.49 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide is sourced from PubChem (CID 998314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).