2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide

C15H20N2O2S — CID 9442218

IUPAC2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C15H20N2O2S/c1-4-7-16-14(18)9-20-10-15(19)17-13-6-5-11(2)8-12(13)3/h4-6,8H,1,7,9-10H2,2-3H3,(H,16,18)(H,17,19)
InChIKeyIQRPPYVXTAKOKK-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.28
Rot. Bonds7

About 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide

2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide (PubChem CID 9442218) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide
PubChem CID9442218
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C15H20N2O2S/c1-4-7-16-14(18)9-20-10-15(19)17-13-6-5-11(2)8-12(13)3/h4-6,8H,1,7,9-10H2,2-3H3,(H,16,18)(H,17,19)
InChIKeyIQRPPYVXTAKOKK-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylanilino)-N-prop-2-enylacetamide
CID 39243861
N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide
CID 7964866
2-[2-(2-acetylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 30905320
ethyl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 3708350
methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785524
2-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 7969125
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide
CID 9314614
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
prop-2-enyl N-(2,4-dimethylphenyl)carbamate
CID 3307281
2-(2-amino-4-methylphenyl)sulfanyl-N-prop-2-enylacetamide
CID 43302751
2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
CID 9072159

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide (CID 9442218) is 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide is C=CCNC(=O)CSCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide?
The InChIKey is IQRPPYVXTAKOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-4-7-16-14(18)9-20-10-15(19)17-13-6-5-11(2)8-12(13)3/h4-6,8H,1,7,9-10H2,2-3H3,(H,16,18)(H,17,19).
What are the key properties of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide?
2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide has a molecular weight of 292.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide is sourced from PubChem (CID 9442218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).