2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide

C18H19IN2O3S — CID 40883287

IUPAC2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C18H19IN2O3S/c1-12-9-13(19)3-8-16(12)21-18(23)11-25-10-17(22)20-14-4-6-15(24-2)7-5-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVHWOXUOTJARGRI-UHFFFAOYSA-N
MW470.33 g/mol
LogP3.92
Rot. Bonds7

About 2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide

2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 40883287) has the molecular formula C18H19IN2O3S and a molecular weight of 470.33 g/mol. Its IUPAC name is 2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID40883287
Molecular FormulaC18H19IN2O3S
Molecular Weight470.33 g/mol
Exact Mass470.02
IUPAC Name2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C18H19IN2O3S/c1-12-9-13(19)3-8-16(12)21-18(23)11-25-10-17(22)20-14-4-6-15(24-2)7-5-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVHWOXUOTJARGRI-UHFFFAOYSA-N
XLogP3.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
CID 43249676
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide
CID 108955636
N-(4-iodo-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 4596964
N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide
CID 55667551
N-(4-methoxyphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 40589293
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283
2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 26877190
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide
CID 7964866
2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
CID 126175408

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide (CID 40883287) is 2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSCC(=O)Nc2ccc(I)cc2C)cc1.
What is the InChIKey of 2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is VHWOXUOTJARGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O3S/c1-12-9-13(19)3-8-16(12)21-18(23)11-25-10-17(22)20-14-4-6-15(24-2)7-5-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 470.33 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 40883287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).