N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide

C18H22N2O7S — CID 3759124

IUPACN-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide
SMILESCOc1cc(NC(=O)CS(=O)(=O)Nc2cc(OC)cc(OC)c2)cc(OC)c1
InChIInChI=1S/C18H22N2O7S/c1-24-14-5-12(6-15(9-14)25-2)19-18(21)11-28(22,23)20-13-7-16(26-3)10-17(8-13)27-4/h5-10,20H,11H2,1-4H3,(H,19,21)
InChIKeyNBIKVDPBXLAJIY-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.10
Rot. Bonds9

About N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide

N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide (PubChem CID 3759124) has the molecular formula C18H22N2O7S and a molecular weight of 410.45 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide
PubChem CID3759124
Molecular FormulaC18H22N2O7S
Molecular Weight410.45 g/mol
Exact Mass410.11
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide
SMILESCOc1cc(NC(=O)CS(=O)(=O)Nc2cc(OC)cc(OC)c2)cc(OC)c1
InChIInChI=1S/C18H22N2O7S/c1-24-14-5-12(6-15(9-14)25-2)19-18(21)11-28(22,23)20-13-7-16(26-3)10-17(8-13)27-4/h5-10,20H,11H2,1-4H3,(H,19,21)
InChIKeyNBIKVDPBXLAJIY-UHFFFAOYSA-N
XLogP2.10
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
N-(3,5-dimethoxyphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 71924471
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
2-(tert-butylamino)-N-(3,5-dimethoxyphenyl)acetamide
CID 27150052
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 23996290
N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 885871
3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide
CID 54944430
2-anilino-N-(3,5-dimethoxyphenyl)acetamide
CID 51178238
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119820030
2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 79464071
N-(3,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 4803684
2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid
CID 61454372

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide (CID 3759124) is N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide is COc1cc(NC(=O)CS(=O)(=O)Nc2cc(OC)cc(OC)c2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide?
The InChIKey is NBIKVDPBXLAJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O7S/c1-24-14-5-12(6-15(9-14)25-2)19-18(21)11-28(22,23)20-13-7-16(26-3)10-17(8-13)27-4/h5-10,20H,11H2,1-4H3,(H,19,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide has a molecular weight of 410.45 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide is sourced from PubChem (CID 3759124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).