N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide

C24H27NO3S — CID 133161577

IUPACN-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccc(C)cc2C)c(C)c1C
InChIInChI=1S/C24H27NO3S/c1-16-11-12-21(17(2)15-16)24(20-9-7-6-8-10-20)25-29(26,27)23-14-13-22(28-5)18(3)19(23)4/h6-15,24-25H,1-5H3
InChIKeyOWWFHIRGPSQKGS-UHFFFAOYSA-N
MW409.55 g/mol
LogP5.00
Rot. Bonds6

About N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide

N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide (PubChem CID 133161577) has the molecular formula C24H27NO3S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
PubChem CID133161577
Molecular FormulaC24H27NO3S
Molecular Weight409.55 g/mol
Exact Mass409.17
IUPAC NameN-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccc(C)cc2C)c(C)c1C
InChIInChI=1S/C24H27NO3S/c1-16-11-12-21(17(2)15-16)24(20-9-7-6-8-10-20)25-29(26,27)23-14-13-22(28-5)18(3)19(23)4/h6-15,24-25H,1-5H3
InChIKeyOWWFHIRGPSQKGS-UHFFFAOYSA-N
XLogP5.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 100587778
N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100668632
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide
CID 95706524
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide
CID 100697968
N-benzhydryl-2,4-dimethylbenzenesulfonamide
CID 19681706
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516
4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 100550950
4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 100710078
5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 133224794
4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 133184980
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133210573
2,3-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 43907923

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide (CID 133161577) is N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccc(C)cc2C)c(C)c1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The InChIKey is OWWFHIRGPSQKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3S/c1-16-11-12-21(17(2)15-16)24(20-9-7-6-8-10-20)25-29(26,27)23-14-13-22(28-5)18(3)19(23)4/h6-15,24-25H,1-5H3.
What are the key properties of N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide has a molecular weight of 409.55 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 133161577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).