2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide

C16H23NO3S — CID 64637809

IUPAC2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CS(=O)c1ccc(C)cc1C)C(C)C
InChIInChI=1S/C16H23NO3S/c1-10(2)16(13(5)18)17-15(19)9-21(20)14-7-6-11(3)8-12(14)4/h6-8,10,16H,9H2,1-5H3,(H,17,19)
InChIKeyLRNMPJXHGPNRHQ-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.14
Rot. Bonds6

About 2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 64637809) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID64637809
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CS(=O)c1ccc(C)cc1C)C(C)C
InChIInChI=1S/C16H23NO3S/c1-10(2)16(13(5)18)17-15(19)9-21(20)14-7-6-11(3)8-12(14)4/h6-8,10,16H,9H2,1-5H3,(H,17,19)
InChIKeyLRNMPJXHGPNRHQ-UHFFFAOYSA-N
XLogP2.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637629
3-(2,4-dimethylphenyl)sulfinylbutan-2-one
CID 64637617
2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide
CID 81180529
N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide
CID 97069827
1-(2,4-dimethylphenyl)sulfinylpentan-2-one
CID 64637633
2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62023194
2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793667
2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43302362
2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone
CID 64637459
2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 126815613
(2R)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 9157169
1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637812

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 64637809) is 2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)CS(=O)c1ccc(C)cc1C)C(C)C.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is LRNMPJXHGPNRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-10(2)16(13(5)18)17-15(19)9-21(20)14-7-6-11(3)8-12(14)4/h6-8,10,16H,9H2,1-5H3,(H,17,19).
What are the key properties of 2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 309.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 64637809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).