N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide

C15H25NO4S — CID 51263519

IUPACN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide
SMILESCCOc1ccc(C(NS(C)(=O)=O)C(C)C)cc1OCC
InChIInChI=1S/C15H25NO4S/c1-6-19-13-9-8-12(10-14(13)20-7-2)15(11(3)4)16-21(5,17)18/h8-11,15-16H,6-7H2,1-5H3
InChIKeyZQXNBELJTLSTJI-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.73
Rot. Bonds8

About N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide (PubChem CID 51263519) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide
PubChem CID51263519
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide
SMILESCCOc1ccc(C(NS(C)(=O)=O)C(C)C)cc1OCC
InChIInChI=1S/C15H25NO4S/c1-6-19-13-9-8-12(10-14(13)20-7-2)15(11(3)4)16-21(5,17)18/h8-11,15-16H,6-7H2,1-5H3
InChIKeyZQXNBELJTLSTJI-UHFFFAOYSA-N
XLogP2.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide
CID 66838352
1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 104518492
N-[(1R)-1-(3,4-diethoxyphenyl)-2-methylpropyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26201902
1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 43496074
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methylsulfonylbenzamide
CID 55447557
1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720003
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide
CID 75896022
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119696392
2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide
CID 119274983
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 46649897
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide
CID 46649898

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide (CID 51263519) is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide is CCOc1ccc(C(NS(C)(=O)=O)C(C)C)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide?
The InChIKey is ZQXNBELJTLSTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-6-19-13-9-8-12(10-14(13)20-7-2)15(11(3)4)16-21(5,17)18/h8-11,15-16H,6-7H2,1-5H3.
What are the key properties of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide?
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide is sourced from PubChem (CID 51263519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).