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

C25H24N2O3S2 — CID 18563013

IUPACN-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide
SMILESCOc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(-c4ccccc4)cc3)s2)cc1
InChIInChI=1S/C25H24N2O3S2/c1-18-24(31-25(27-18)21-8-12-22(30-2)13-9-21)16-17-26-32(28,29)23-14-10-20(11-15-23)19-6-4-3-5-7-19/h3-15,26H,16-17H2,1-2H3
InChIKeyPVKCNYOQTDBFOF-UHFFFAOYSA-N
MW464.61 g/mol
LogP5.32
Rot. Bonds8

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

N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide (PubChem CID 18563013) has the molecular formula C25H24N2O3S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide
PubChem CID18563013
Molecular FormulaC25H24N2O3S2
Molecular Weight464.61 g/mol
Exact Mass464.12
IUPAC NameN-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide
SMILESCOc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(-c4ccccc4)cc3)s2)cc1
InChIInChI=1S/C25H24N2O3S2/c1-18-24(31-25(27-18)21-8-12-22(30-2)13-9-21)16-17-26-32(28,29)23-14-10-20(11-15-23)19-6-4-3-5-7-19/h3-15,26H,16-17H2,1-2H3
InChIKeyPVKCNYOQTDBFOF-UHFFFAOYSA-N
XLogP5.32
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 7202350
4-butoxy-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 22583786
N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenoxybenzenesulfonamide
CID 22583807
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503062
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
CID 121121722
N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 7207713
4-chloro-N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 22583799
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-ethylbenzenesulfonamide
CID 20965733
4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7518293
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 18563024
3,4-dimethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121121697
4-fluoro-3-methyl-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503113

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide (CID 18563013) is N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide is COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(-c4ccccc4)cc3)s2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide?
The InChIKey is PVKCNYOQTDBFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S2/c1-18-24(31-25(27-18)21-8-12-22(30-2)13-9-21)16-17-26-32(28,29)23-14-10-20(11-15-23)19-6-4-3-5-7-19/h3-15,26H,16-17H2,1-2H3.
What are the key properties of N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide?
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide has a molecular weight of 464.61 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 18563013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).