N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide

C18H19BrN2O2S — CID 7964866

IUPACN-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C18H19BrN2O2S/c1-12-3-8-16(13(2)9-12)21-18(23)11-24-10-17(22)20-15-6-4-14(19)5-7-15/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVATBGHKENSMPOE-UHFFFAOYSA-N
MW407.33 g/mol
LogP4.38
Rot. Bonds6

About N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide

N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 7964866) has the molecular formula C18H19BrN2O2S and a molecular weight of 407.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID7964866
Molecular FormulaC18H19BrN2O2S
Molecular Weight407.33 g/mol
Exact Mass406.04
IUPAC NameN-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C18H19BrN2O2S/c1-12-3-8-16(13(2)9-12)21-18(23)11-24-10-17(22)20-15-6-4-14(19)5-7-15/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVATBGHKENSMPOE-UHFFFAOYSA-N
XLogP4.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129
2-[2-(2-acetylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 30905320
2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide
CID 9442218
ethyl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 3708350
2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
CID 9072159
N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528206
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
N-(4-acetylphenyl)-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetamide
CID 5085970
2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 1193965
N-(2,4-dimethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4257901
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,4-dimethylphenyl)acetamide
CID 18085754

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide (CID 7964866) is N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide is Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(Br)cc2)c(C)c1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is VATBGHKENSMPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2S/c1-12-3-8-16(13(2)9-12)21-18(23)11-24-10-17(22)20-15-6-4-14(19)5-7-15/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide?
N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 407.33 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 7964866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).