2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide

C21H22N2O6S — CID 25469575

IUPAC2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)Cc2ccco2)cc1OC
InChIInChI=1S/C21H22N2O6S/c1-23(14-15-7-6-12-29-15)21(24)17-8-4-5-9-18(17)22-30(25,26)16-10-11-19(27-2)20(13-16)28-3/h4-13,22H,14H2,1-3H3
InChIKeyKPWQVYXJVWPVOK-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.37
Rot. Bonds8

About 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide

2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide (PubChem CID 25469575) has the molecular formula C21H22N2O6S and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide
PubChem CID25469575
Molecular FormulaC21H22N2O6S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)Cc2ccco2)cc1OC
InChIInChI=1S/C21H22N2O6S/c1-23(14-15-7-6-12-29-15)21(24)17-8-4-5-9-18(17)22-30(25,26)16-10-11-19(27-2)20(13-16)28-3/h4-13,22H,14H2,1-3H3
InChIKeyKPWQVYXJVWPVOK-UHFFFAOYSA-N
XLogP3.37
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528
N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide
CID 26982526
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide
CID 18109821
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 25497844
N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 58892098
N-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 26594486
methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate
CID 100686080
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)sulfonylamino]benzamide
CID 51170390
N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide
CID 24544466
N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide
CID 27739527
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide (CID 25469575) is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide is COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)Cc2ccco2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide?
The InChIKey is KPWQVYXJVWPVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6S/c1-23(14-15-7-6-12-29-15)21(24)17-8-4-5-9-18(17)22-30(25,26)16-10-11-19(27-2)20(13-16)28-3/h4-13,22H,14H2,1-3H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide?
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide has a molecular weight of 430.48 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 25469575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).