N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide

C23H20N2O2S2 — CID 121121722

IUPACN-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
SMILESCc1nc(-c2ccccc2)sc1CNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2S2/c1-17-22(28-23(25-17)20-10-6-3-7-11-20)16-24-29(26,27)21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-15,24H,16H2,1H3
InChIKeyCDAIYXSKCARJJN-UHFFFAOYSA-N
MW420.56 g/mol
LogP5.26
Rot. Bonds6

About N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide

N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide (PubChem CID 121121722) has the molecular formula C23H20N2O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
PubChem CID121121722
Molecular FormulaC23H20N2O2S2
Molecular Weight420.56 g/mol
Exact Mass420.10
IUPAC NameN-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
SMILESCc1nc(-c2ccccc2)sc1CNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2S2/c1-17-22(28-23(25-17)20-10-6-3-7-11-20)16-24-29(26,27)21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-15,24H,16H2,1H3
InChIKeyCDAIYXSKCARJJN-UHFFFAOYSA-N
XLogP5.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121121697
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide
CID 18563013
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 121123947
5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole
CID 121121685
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide
CID 121122925
4-bromo-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121916
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503062
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-4-propylbenzenesulfonamide
CID 121121976
2-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-nitrobenzenesulfonamide
CID 121121781
3,4-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122416
3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122475
3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122441

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide (CID 121121722) is N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide is Cc1nc(-c2ccccc2)sc1CNS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide?
The InChIKey is CDAIYXSKCARJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S2/c1-17-22(28-23(25-17)20-10-6-3-7-11-20)16-24-29(26,27)21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-15,24H,16H2,1H3.
What are the key properties of N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide?
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide has a molecular weight of 420.56 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 121121722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).