4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide

C21H27N3O6S — CID 32511900

IUPAC4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCOc1cc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c(C(=O)N(C)C)cc1OC
InChIInChI=1S/C21H27N3O6S/c1-14-9-7-8-10-17(14)24(31(6,27)28)13-20(25)22-16-12-19(30-5)18(29-4)11-15(16)21(26)23(2)3/h7-12H,13H2,1-6H3,(H,22,25)
InChIKeyOMRSDPOIFOQYDS-UHFFFAOYSA-N
MW449.53 g/mol
LogP2.12
Rot. Bonds8

About 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide

4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide (PubChem CID 32511900) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
PubChem CID32511900
Molecular FormulaC21H27N3O6S
Molecular Weight449.53 g/mol
Exact Mass449.16
IUPAC Name4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
SMILESCOc1cc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c(C(=O)N(C)C)cc1OC
InChIInChI=1S/C21H27N3O6S/c1-14-9-7-8-10-17(14)24(31(6,27)28)13-20(25)22-16-12-19(30-5)18(29-4)11-15(16)21(26)23(2)3/h7-12H,13H2,1-6H3,(H,22,25)
InChIKeyOMRSDPOIFOQYDS-UHFFFAOYSA-N
XLogP2.12
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55639592
N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3139212
N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1320489
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3335724
N-(3,5-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 8572707
N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55726000
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 92680849
methyl 3-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 1311422
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 31115277
2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1372880
2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1333886

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide (CID 32511900) is 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide is COc1cc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c(C(=O)N(C)C)cc1OC.
What is the InChIKey of 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide?
The InChIKey is OMRSDPOIFOQYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S/c1-14-9-7-8-10-17(14)24(31(6,27)28)13-20(25)22-16-12-19(30-5)18(29-4)11-15(16)21(26)23(2)3/h7-12H,13H2,1-6H3,(H,22,25).
What are the key properties of 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide?
4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide has a molecular weight of 449.53 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N,N-dimethyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 32511900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).