5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide

C23H23N5O2S2 — CID 122296217

IUPAC5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(Nc2nc(C)cc(Nc3ccc(NS(=O)(=O)c4ccc(C)s4)cc3)n2)cc1
InChIInChI=1S/C23H23N5O2S2/c1-15-4-7-19(8-5-15)26-23-24-16(2)14-21(27-23)25-18-9-11-20(12-10-18)28-32(29,30)22-13-6-17(3)31-22/h4-14,28H,1-3H3,(H2,24,25,26,27)
InChIKeyHKAZKXFSOVMJRJ-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.75
Rot. Bonds7

About 5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide

5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide (PubChem CID 122296217) has the molecular formula C23H23N5O2S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide
PubChem CID122296217
Molecular FormulaC23H23N5O2S2
Molecular Weight465.60 g/mol
Exact Mass465.13
IUPAC Name5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(Nc2nc(C)cc(Nc3ccc(NS(=O)(=O)c4ccc(C)s4)cc3)n2)cc1
InChIInChI=1S/C23H23N5O2S2/c1-15-4-7-19(8-5-15)26-23-24-16(2)14-21(27-23)25-18-9-11-20(12-10-18)28-32(29,30)22-13-6-17(3)31-22/h4-14,28H,1-3H3,(H2,24,25,26,27)
InChIKeyHKAZKXFSOVMJRJ-UHFFFAOYSA-N
XLogP5.75
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide
CID 122287141
5-methyl-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]thiophene-2-sulfonamide
CID 122325163
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
4-fluoro-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27505841
5-fluoro-2-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 53048980
4-fluoro-2-methyl-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 122286910
5-chloro-2-methoxy-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122296241
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide
CID 122324368
4-methyl-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]-3,5-dinitrobenzenesulfonamide
CID 121032404
N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122296240
2-N-(3,4-dimethylphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927325

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide (CID 122296217) is 5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide is Cc1ccc(Nc2nc(C)cc(Nc3ccc(NS(=O)(=O)c4ccc(C)s4)cc3)n2)cc1.
What is the InChIKey of 5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide?
The InChIKey is HKAZKXFSOVMJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S2/c1-15-4-7-19(8-5-15)26-23-24-16(2)14-21(27-23)25-18-9-11-20(12-10-18)28-32(29,30)22-13-6-17(3)31-22/h4-14,28H,1-3H3,(H2,24,25,26,27).
What are the key properties of 5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide?
5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide has a molecular weight of 465.60 g/mol, XLogP of 5.75, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122296217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).