N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide

C23H25NO4S — CID 46022202

IUPACN-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C23H25NO4S/c1-17-8-11-21(12-9-17)29(25,26)24(16-19-7-5-6-18(2)14-19)20-10-13-22(27-3)23(15-20)28-4/h5-15H,16H2,1-4H3
InChIKeyNLTOZTRVKSPOPM-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.72
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide

N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide (PubChem CID 46022202) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
PubChem CID46022202
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC NameN-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C23H25NO4S/c1-17-8-11-21(12-9-17)29(25,26)24(16-19-7-5-6-18(2)14-19)20-10-13-22(27-3)23(15-20)28-4/h5-15H,16H2,1-4H3
InChIKeyNLTOZTRVKSPOPM-UHFFFAOYSA-N
XLogP4.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-4-methylbenzenesulfonamide
CID 46021917
N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841888
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42841619
N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide
CID 42841912
N-[(3,5-dimethoxyphenyl)methyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 46021875
N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021764
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 125086524
N-cyclopentyl-2-[[2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132639496
N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46022175
N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 3785219
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
(2S)-2-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetyl]-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100658396

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide (CID 46022202) is N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide is COc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is NLTOZTRVKSPOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S/c1-17-8-11-21(12-9-17)29(25,26)24(16-19-7-5-6-18(2)14-19)20-10-13-22(27-3)23(15-20)28-4/h5-15H,16H2,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 411.52 g/mol, XLogP of 4.72, 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)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 46022202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).