2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide

C24H23NO5S — CID 22780728

IUPAC2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCOc1ccccc1C(=O)CSc1ccc(NC(=O)c2c(OC)cccc2OC)cc1
InChIInChI=1S/C24H23NO5S/c1-28-20-8-5-4-7-18(20)19(26)15-31-17-13-11-16(12-14-17)25-24(27)23-21(29-2)9-6-10-22(23)30-3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyDUMFAXXMLUVEMV-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.94
Rot. Bonds9

About 2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide

2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 22780728) has the molecular formula C24H23NO5S and a molecular weight of 437.52 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID22780728
Molecular FormulaC24H23NO5S
Molecular Weight437.52 g/mol
Exact Mass437.13
IUPAC Name2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCOc1ccccc1C(=O)CSc1ccc(NC(=O)c2c(OC)cccc2OC)cc1
InChIInChI=1S/C24H23NO5S/c1-28-20-8-5-4-7-18(20)19(26)15-31-17-13-11-16(12-14-17)25-24(27)23-21(29-2)9-6-10-22(23)30-3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyDUMFAXXMLUVEMV-UHFFFAOYSA-N
XLogP4.94
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19631701
2,6-dimethoxy-N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 23099063
N-[(Z)-3-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylanilino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 22193502
1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 116810019
2,6-dimethoxy-N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 22778655
N-[4-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 21169719
1-(2-fluoro-3-methoxyphenyl)-2-phenylsulfanylethanone
CID 82808492
N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 19299824
N-[(Z)-1-(2,4-dimethoxyphenyl)-3-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22783344
(E)-4-[3-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18894838
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide (CID 22780728) is 2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide is COc1ccccc1C(=O)CSc1ccc(NC(=O)c2c(OC)cccc2OC)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is DUMFAXXMLUVEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5S/c1-28-20-8-5-4-7-18(20)19(26)15-31-17-13-11-16(12-14-17)25-24(27)23-21(29-2)9-6-10-22(23)30-3/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of 2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide?
2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 437.52 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 22780728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).