4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide

C23H20N2O3S2 — CID 54774003

IUPAC4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(-c3nc(-c4ccccc4)cs3)cc2)cc1
InChIInChI=1S/C23H20N2O3S2/c1-28-20-11-13-21(14-12-20)30(26,27)24-15-17-7-9-19(10-8-17)23-25-22(16-29-23)18-5-3-2-4-6-18/h2-14,16,24H,15H2,1H3
InChIKeyDYJYXRLROFEJOZ-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.96
Rot. Bonds7

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

4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 54774003) has the molecular formula C23H20N2O3S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
PubChem CID54774003
Molecular FormulaC23H20N2O3S2
Molecular Weight436.56 g/mol
Exact Mass436.09
IUPAC Name4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(-c3nc(-c4ccccc4)cs3)cc2)cc1
InChIInChI=1S/C23H20N2O3S2/c1-28-20-11-13-21(14-12-20)30(26,27)24-15-17-7-9-19(10-8-17)23-25-22(16-29-23)18-5-3-2-4-6-18/h2-14,16,24H,15H2,1H3
InChIKeyDYJYXRLROFEJOZ-UHFFFAOYSA-N
XLogP4.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 1203751
4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide
CID 108782450
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 155943131
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9330105
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide
CID 108780108
N-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzenesulfonamide
CID 110393835
N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332057

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide (CID 54774003) is 4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(-c3nc(-c4ccccc4)cs3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is DYJYXRLROFEJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S2/c1-28-20-11-13-21(14-12-20)30(26,27)24-15-17-7-9-19(10-8-17)23-25-22(16-29-23)18-5-3-2-4-6-18/h2-14,16,24H,15H2,1H3.
What are the key properties of 4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide?
4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 436.56 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 54774003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).