2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl-N-pyridin-3-ylacetamide

C18H21N3O3S — CID 656209

IUPAC2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl-N-pyridin-3-ylacetamide
SMILESCc1cc(C)c(NC(=O)CS(=O)CC(=O)Nc2cccnc2)c(C)c1
InChIInChI=1S/C18H21N3O3S/c1-12-7-13(2)18(14(3)8-12)21-17(23)11-25(24)10-16(22)20-15-5-4-6-19-9-15/h4-9H,10-11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyKVCYEGWBSVUHKV-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.33
Rot. Bonds6

About 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl-N-pyridin-3-ylacetamide

2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl-N-pyridin-3-ylacetamide (PubChem CID 656209) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl-N-pyridin-3-ylacetamide
PubChem CID656209
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl-N-pyridin-3-ylacetamide
SMILESCc1cc(C)c(NC(=O)CS(=O)CC(=O)Nc2cccnc2)c(C)c1
InChIInChI=1S/C18H21N3O3S/c1-12-7-13(2)18(14(3)8-12)21-17(23)11-25(24)10-16(22)20-15-5-4-6-19-9-15/h4-9H,10-11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyKVCYEGWBSVUHKV-UHFFFAOYSA-N
XLogP2.33
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ST4014630
CID 684061
2-[Methyl-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 925262
N~2~-(2-ethylphenyl)-N~2~-(phenylsulfonyl)-N-pyridin-3-ylglycinamide
CID 1337759
2-(Methanesulfonyl-o-tolyl-amino)-N-pyridin-4-ylmethyl-acetamide
CID 648317
N-(4-methylphenyl)-3-(2-pyridinylsulfanyl)propanamide
CID 851336
2-benzylsulfonyl-N-pyridin-3-ylacetamide
CID 901250
N-Pyridin-3-yl-2-[(toluene-4-sulfonyl)-o-tolyl-amino]-acetamide
CID 1139709
2-[4-methyl(methylsulfonyl)anilino]-N-[2-(2-pyridinylsulfanyl)ethyl]acetamide
CID 2267370
2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-pyridin-3-ylacetamide
CID 3242516
2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-(pyridin-3-ylmethyl)acetamide
CID 3245052
2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-pyridin-3-ylacetamide
CID 3245788
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide
CID 4884154

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl-N-pyridin-3-ylacetamide (CID 656209) is 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl-N-pyridin-3-ylacetamide is Cc1cc(C)c(NC(=O)CS(=O)CC(=O)Nc2cccnc2)c(C)c1.
What is the InChIKey of 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl-N-pyridin-3-ylacetamide?
The InChIKey is KVCYEGWBSVUHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12-7-13(2)18(14(3)8-12)21-17(23)11-25(24)10-16(22)20-15-5-4-6-19-9-15/h4-9H,10-11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl-N-pyridin-3-ylacetamide?
2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl-N-pyridin-3-ylacetamide has a molecular weight of 359.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl-N-pyridin-3-ylacetamide is sourced from PubChem (CID 656209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).