N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide

C24H22N2O3S2 — CID 126200501

IUPACN-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2c(-c3ccccc3)sc(=NS(=O)(=O)c3ccc(C)cc3)n2C)cc1
InChIInChI=1S/C24H22N2O3S2/c1-17-9-15-21(16-10-17)31(27,28)25-24-26(2)22(18-11-13-20(29-3)14-12-18)23(30-24)19-7-5-4-6-8-19/h4-16H,1-3H3
InChIKeyJHJOMEORVLTSSL-UHFFFAOYSA-N
MW450.59 g/mol
LogP5.03
Rot. Bonds5

About N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide

N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide (PubChem CID 126200501) has the molecular formula C24H22N2O3S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
PubChem CID126200501
Molecular FormulaC24H22N2O3S2
Molecular Weight450.59 g/mol
Exact Mass450.11
IUPAC NameN-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2c(-c3ccccc3)sc(=NS(=O)(=O)c3ccc(C)cc3)n2C)cc1
InChIInChI=1S/C24H22N2O3S2/c1-17-9-15-21(16-10-17)31(27,28)25-24-26(2)22(18-11-13-20(29-3)14-12-18)23(30-24)19-7-5-4-6-8-19/h4-16H,1-3H3
InChIKeyJHJOMEORVLTSSL-UHFFFAOYSA-N
XLogP5.03
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 126211272
N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 126212127
2-chloro-N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide
CID 126198964
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937518
N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]adamantane-1-carboxamide
CID 126213225
N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891793
4-methoxy-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
CID 40891908
(NE)-N-[3-(4-methoxyphenyl)-4,6-diphenyl-4H-1,3-oxazin-2-ylidene]-4-methylbenzenesulfonamide
CID 135068633
3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole
CID 10959140
N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide
CID 72581893
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide
CID 126204701
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-fluorobenzamide
CID 126203694

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide (CID 126200501) is N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide is COc1ccc(-c2c(-c3ccccc3)sc(=NS(=O)(=O)c3ccc(C)cc3)n2C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide?
The InChIKey is JHJOMEORVLTSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S2/c1-17-9-15-21(16-10-17)31(27,28)25-24-26(2)22(18-11-13-20(29-3)14-12-18)23(30-24)19-7-5-4-6-8-19/h4-16H,1-3H3.
What are the key properties of N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide?
N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide has a molecular weight of 450.59 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 126200501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).