2-methoxy-N-(4-methylphenyl)sulfinylacetamide

C10H13NO3S — CID 86036730

IUPAC2-methoxy-N-(4-methylphenyl)sulfinylacetamide
SMILESCOCC(=O)NS(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NO3S/c1-8-3-5-9(6-4-8)15(13)11-10(12)7-14-2/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyZZXHCNOKALZJTR-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.78
Rot. Bonds4

About 2-methoxy-N-(4-methylphenyl)sulfinylacetamide

2-methoxy-N-(4-methylphenyl)sulfinylacetamide (PubChem CID 86036730) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-methoxy-N-(4-methylphenyl)sulfinylacetamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methylphenyl)sulfinylacetamide
PubChem CID86036730
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name2-methoxy-N-(4-methylphenyl)sulfinylacetamide
SMILESCOCC(=O)NS(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NO3S/c1-8-3-5-9(6-4-8)15(13)11-10(12)7-14-2/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyZZXHCNOKALZJTR-UHFFFAOYSA-N
XLogP0.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
CID 10751029
N-(4-aminophenyl)sulfinylpropanamide
CID 166696562
N-(2-chloro-5-methylphenyl)-2-methoxyacetamide
CID 103769395
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
[2-(4-methylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate
CID 11860423
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639
methyl 6-[(S)-(4-methylphenyl)sulfinyl]-5-oxohexanoate
CID 14889052
2-[(S)-(4-methylphenyl)sulfinyl]acetic acid
CID 54403067
[(4-methylphenyl)sulfinylamino]phosphonous acid
CID 167063351
4-methyl-N-(1-phenylethenyl)benzenesulfinamide
CID 134881500
tert-butyl 2,4-dimethyl-2-[(4-methylphenyl)sulfinylcarbamoyl]pentanoate
CID 156530813
(4-methylphenyl) 2-methoxyacetate
CID 142940402

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methylphenyl)sulfinylacetamide?
The IUPAC name of 2-methoxy-N-(4-methylphenyl)sulfinylacetamide (CID 86036730) is 2-methoxy-N-(4-methylphenyl)sulfinylacetamide.
What is the SMILES notation for 2-methoxy-N-(4-methylphenyl)sulfinylacetamide?
The canonical SMILES for 2-methoxy-N-(4-methylphenyl)sulfinylacetamide is COCC(=O)NS(=O)c1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-(4-methylphenyl)sulfinylacetamide?
The InChIKey is ZZXHCNOKALZJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-8-3-5-9(6-4-8)15(13)11-10(12)7-14-2/h3-6H,7H2,1-2H3,(H,11,12).
What are the key properties of 2-methoxy-N-(4-methylphenyl)sulfinylacetamide?
2-methoxy-N-(4-methylphenyl)sulfinylacetamide has a molecular weight of 227.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methylphenyl)sulfinylacetamide is sourced from PubChem (CID 86036730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).