N-(3,4-dimethoxyphenyl)-N-(3-oxopropyl)methanesulfonamide

C12H17NO5S — CID 15482470

IUPACN-(3,4-dimethoxyphenyl)-N-(3-oxopropyl)methanesulfonamide
SMILESCOc1ccc(N(CCC=O)S(C)(=O)=O)cc1OC
InChIInChI=1S/C12H17NO5S/c1-17-11-6-5-10(9-12(11)18-2)13(7-4-8-14)19(3,15)16/h5-6,8-9H,4,7H2,1-3H3
InChIKeyAKMKNDDXBZIYMA-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.06
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-N-(3-oxopropyl)methanesulfonamide

N-(3,4-dimethoxyphenyl)-N-(3-oxopropyl)methanesulfonamide (PubChem CID 15482470) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-(3-oxopropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-(3-oxopropyl)methanesulfonamide
PubChem CID15482470
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC NameN-(3,4-dimethoxyphenyl)-N-(3-oxopropyl)methanesulfonamide
SMILESCOc1ccc(N(CCC=O)S(C)(=O)=O)cc1OC
InChIInChI=1S/C12H17NO5S/c1-17-11-6-5-10(9-12(11)18-2)13(7-4-8-14)19(3,15)16/h5-6,8-9H,4,7H2,1-3H3
InChIKeyAKMKNDDXBZIYMA-UHFFFAOYSA-N
XLogP1.06
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 46022543
N-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide
CID 24719660
N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145193
N-(3,4-dimethoxyphenyl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 53286923
N-(3,4-dimethoxyphenyl)-4-(3,4-dimethyl-N-methylsulfonylanilino)butanamide
CID 53280943
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 125074220
N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 2271520
N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1085637
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3,4-dimethyl-N-methylsulfonylanilino)butanamide
CID 19062110
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2279376
N-(4-chlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1100013
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 2282293

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-(3-oxopropyl)methanesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-(3-oxopropyl)methanesulfonamide (CID 15482470) is N-(3,4-dimethoxyphenyl)-N-(3-oxopropyl)methanesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-(3-oxopropyl)methanesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-(3-oxopropyl)methanesulfonamide is COc1ccc(N(CCC=O)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-(3-oxopropyl)methanesulfonamide?
The InChIKey is AKMKNDDXBZIYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-17-11-6-5-10(9-12(11)18-2)13(7-4-8-14)19(3,15)16/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-(3-oxopropyl)methanesulfonamide?
N-(3,4-dimethoxyphenyl)-N-(3-oxopropyl)methanesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 1.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-(3-oxopropyl)methanesulfonamide is sourced from PubChem (CID 15482470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).