methyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate

C24H22N2O4S — CID 18906521

IUPACmethyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CSc1cccc(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C24H22N2O4S/c1-16-8-3-4-11-19(16)23(28)25-17-9-7-10-18(14-17)31-15-22(27)26-21-13-6-5-12-20(21)24(29)30-2/h3-14H,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyZCTMCXIPVCSBQA-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.76
Rot. Bonds7

About methyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate

methyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate (PubChem CID 18906521) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is methyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
PubChem CID18906521
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Namemethyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CSc1cccc(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C24H22N2O4S/c1-16-8-3-4-11-19(16)23(28)25-17-9-7-10-18(14-17)31-15-22(27)26-21-13-6-5-12-20(21)24(29)30-2/h3-14H,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyZCTMCXIPVCSBQA-UHFFFAOYSA-N
XLogP4.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906524
methyl 2-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoate
CID 19316658
N-[3-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906516
2-[[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895638
N-[3-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 19298845
N-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906483
3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18906786
2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18907954
8-[[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18897360
2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methylphenyl)acetamide
CID 19316923
2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide
CID 19300010
methyl 6-methyl-2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 18911258

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate (CID 18906521) is methyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CSc1cccc(NC(=O)c2ccccc2C)c1.
What is the InChIKey of methyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate?
The InChIKey is ZCTMCXIPVCSBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-16-8-3-4-11-19(16)23(28)25-17-9-7-10-18(14-17)31-15-22(27)26-21-13-6-5-12-20(21)24(29)30-2/h3-14H,15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of methyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate?
methyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate has a molecular weight of 434.52 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate is sourced from PubChem (CID 18906521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).