N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide

C19H25NO4S — CID 42841784

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide
SMILESCOc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)C(C)C)cc1OC
InChIInChI=1S/C19H25NO4S/c1-14(2)25(21,22)20(17-9-6-15(3)7-10-17)13-16-8-11-18(23-4)19(12-16)24-5/h6-12,14H,13H2,1-5H3
InChIKeyAIOACYYIMAHNDS-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.76
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide (PubChem CID 42841784) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide
PubChem CID42841784
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide
SMILESCOc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)C(C)C)cc1OC
InChIInChI=1S/C19H25NO4S/c1-14(2)25(21,22)20(17-9-6-15(3)7-10-17)13-16-8-11-18(23-4)19(12-16)24-5/h6-12,14H,13H2,1-5H3
InChIKeyAIOACYYIMAHNDS-UHFFFAOYSA-N
XLogP3.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42841619
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 99956197
N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 46022202
N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841888
N-[(3,4-dimethoxyphenyl)methyl]-4-fluoro-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
CID 42841963
N-(3,4-dimethoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide
CID 24719660
N-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-4-methylbenzenesulfonamide
CID 46021917
3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline
CID 177401389
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 46022510
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
CID 2548359
(2S)-2-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100665672
2-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132680721

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide (CID 42841784) is N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide is COc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)C(C)C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide?
The InChIKey is AIOACYYIMAHNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-14(2)25(21,22)20(17-9-6-15(3)7-10-17)13-16-8-11-18(23-4)19(12-16)24-5/h6-12,14H,13H2,1-5H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)propane-2-sulfonamide is sourced from PubChem (CID 42841784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).