N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide

C18H23NO4S — CID 22206211

IUPACN-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1OCC
InChIInChI=1S/C18H23NO4S/c1-3-22-17-11-10-16(12-18(17)23-4-2)13-19-24(20,21)14-15-8-6-5-7-9-15/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyXQAZIFIHBFBMQF-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.10
Rot. Bonds9

About N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide

N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide (PubChem CID 22206211) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide
PubChem CID22206211
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1OCC
InChIInChI=1S/C18H23NO4S/c1-3-22-17-11-10-16(12-18(17)23-4-2)13-19-24(20,21)14-15-8-6-5-7-9-15/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyXQAZIFIHBFBMQF-UHFFFAOYSA-N
XLogP3.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide
CID 110782030
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110782026
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide
CID 30380870
N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206221
N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 22206204
N-[(3,4-diethoxyphenyl)methyl]-2-phenoxyacetamide
CID 6472714
3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 30788428
N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide
CID 110781946
N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
CID 92672631
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide
CID 110780394
N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide
CID 22206219

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide (CID 22206211) is N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide is CCOc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is XQAZIFIHBFBMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-3-22-17-11-10-16(12-18(17)23-4-2)13-19-24(20,21)14-15-8-6-5-7-9-15/h5-12,19H,3-4,13-14H2,1-2H3.
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide?
N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 22206211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).