N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide

C24H24N2O3S — CID 18906524

IUPACN-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
SMILESCCOc1ccccc1NC(=O)CSc1cccc(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C24H24N2O3S/c1-3-29-22-14-7-6-13-21(22)26-23(27)16-30-19-11-8-10-18(15-19)25-24(28)20-12-5-4-9-17(20)2/h4-15H,3,16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyRDRJLTFOWCETJQ-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.38
Rot. Bonds8

About N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide

N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide (PubChem CID 18906524) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
PubChem CID18906524
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
SMILESCCOc1ccccc1NC(=O)CSc1cccc(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C24H24N2O3S/c1-3-29-22-14-7-6-13-21(22)26-23(27)16-30-19-11-8-10-18(15-19)25-24(28)20-12-5-4-9-17(20)2/h4-15H,3,16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyRDRJLTFOWCETJQ-UHFFFAOYSA-N
XLogP5.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[3-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 18906521
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-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906516
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 19317237
2,6-dimethoxy-N-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18907954
2-[[2-(2-ethoxyanilino)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 30568013
8-[[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18897382
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680
2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methylphenyl)acetamide
CID 19316923
N-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906483
2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide
CID 19300010

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide?
The IUPAC name of N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide (CID 18906524) is N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide is CCOc1ccccc1NC(=O)CSc1cccc(NC(=O)c2ccccc2C)c1.
What is the InChIKey of N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide?
The InChIKey is RDRJLTFOWCETJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-3-29-22-14-7-6-13-21(22)26-23(27)16-30-19-11-8-10-18(15-19)25-24(28)20-12-5-4-9-17(20)2/h4-15H,3,16H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide?
N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide has a molecular weight of 420.53 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide is sourced from PubChem (CID 18906524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).