4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide

C23H25NO3S — CID 100587778

IUPAC4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)c(C)c1C
InChIInChI=1S/C23H25NO3S/c1-16-10-8-9-13-20(16)23(19-11-6-5-7-12-19)24-28(25,26)22-15-14-21(27-4)17(2)18(22)3/h5-15,23-24H,1-4H3/t23-/m1/s1
InChIKeyWFFCIQVCIAVWAD-HSZRJFAPSA-N
MW395.52 g/mol
LogP4.69
Rot. Bonds6

About 4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide

4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide (PubChem CID 100587778) has the molecular formula C23H25NO3S and a molecular weight of 395.52 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
PubChem CID100587778
Molecular FormulaC23H25NO3S
Molecular Weight395.52 g/mol
Exact Mass395.16
IUPAC Name4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)c(C)c1C
InChIInChI=1S/C23H25NO3S/c1-16-10-8-9-13-20(16)23(19-11-6-5-7-12-19)24-28(25,26)22-15-14-21(27-4)17(2)18(22)3/h5-15,23-24H,1-4H3/t23-/m1/s1
InChIKeyWFFCIQVCIAVWAD-HSZRJFAPSA-N
XLogP4.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100668632
N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133161577
4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 100550950
2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 92646276
N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 99490430
methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 133228972
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133210573
methyl 2-chloro-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100657490
4-methoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 28567240
N-[4-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 94027039
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide (CID 100587778) is 4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide?
The InChIKey is WFFCIQVCIAVWAD-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25NO3S/c1-16-10-8-9-13-20(16)23(19-11-6-5-7-12-19)24-28(25,26)22-15-14-21(27-4)17(2)18(22)3/h5-15,23-24H,1-4H3/t23-/m1/s1.
What are the key properties of 4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide?
4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide has a molecular weight of 395.52 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide is sourced from PubChem (CID 100587778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).