2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide

C24H24N2O5S — CID 18907954

IUPAC2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCOc1ccccc1NC(=O)CSc1cccc(NC(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C24H24N2O5S/c1-29-19-11-5-4-10-18(19)26-22(27)15-32-17-9-6-8-16(14-17)25-24(28)23-20(30-2)12-7-13-21(23)31-3/h4-14H,15H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyABFKOOWMTFMCDS-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.70
Rot. Bonds9

About 2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide

2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 18907954) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID18907954
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Name2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCOc1ccccc1NC(=O)CSc1cccc(NC(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C24H24N2O5S/c1-29-19-11-5-4-10-18(19)26-22(27)15-32-17-9-6-8-16(14-17)25-24(28)23-20(30-2)12-7-13-21(23)31-3/h4-14H,15H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyABFKOOWMTFMCDS-UHFFFAOYSA-N
XLogP4.70
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-[[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18897382
3-[[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]-4-methylbenzoic acid
CID 18907980
2,6-dimethoxy-N-[3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide
CID 18907944
2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methylphenyl)acetamide
CID 19316923
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 19317227
N-[3-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18907967
N-(4-chlorophenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316907
N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902730
N-(5-chloro-2-methylphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316911
N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906524
N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908238
2,6-dimethoxy-N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299834

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide (CID 18907954) is 2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide is COc1ccccc1NC(=O)CSc1cccc(NC(=O)c2c(OC)cccc2OC)c1.
What is the InChIKey of 2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is ABFKOOWMTFMCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-29-19-11-5-4-10-18(19)26-22(27)15-32-17-9-6-8-16(14-17)25-24(28)23-20(30-2)12-7-13-21(23)31-3/h4-14H,15H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 452.53 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18907954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).