N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide

C18H22N2O6S — CID 112999332

IUPACN-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H22N2O6S/c1-4-26-14-6-8-15(9-7-14)27(22,23)19-12-18(21)20-13-5-10-16(24-2)17(11-13)25-3/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyNCGZVMFUMYGRGJ-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.02
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide

N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide (PubChem CID 112999332) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
PubChem CID112999332
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H22N2O6S/c1-4-26-14-6-8-15(9-7-14)27(22,23)19-12-18(21)20-13-5-10-16(24-2)17(11-13)25-3/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyNCGZVMFUMYGRGJ-UHFFFAOYSA-N
XLogP2.02
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
CID 109009183
N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 78784962
2-[(4-carbamimidoylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
CID 71449633
N-(4-ethoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998900
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262776
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998742
N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999333
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1129944
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 53280565
N-(3,4-dimethoxyphenyl)-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetamide
CID 112999325
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(4-ethoxyphenyl)acetamide
CID 53280603
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998755

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide (CID 112999332) is N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide is CCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide?
The InChIKey is NCGZVMFUMYGRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-4-26-14-6-8-15(9-7-14)27(22,23)19-12-18(21)20-13-5-10-16(24-2)17(11-13)25-3/h5-11,19H,4,12H2,1-3H3,(H,20,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide?
N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide has a molecular weight of 394.45 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112999332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).