4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide

C23H23N5O3S2 — CID 174526022

IUPAC4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1c(-c2ccnc(Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3)n2)sc(=O)n1C
InChIInChI=1S/C23H23N5O3S2/c1-16-21(32-23(29)28(16)2)20-13-14-24-22(27-20)26-18-8-10-19(11-9-18)33(30,31)25-15-12-17-6-4-3-5-7-17/h3-11,13-14,25H,12,15H2,1-2H3,(H,24,26,27)
InChIKeyDAHLUKABBVPTFL-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.48
Rot. Bonds8

About 4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide

4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 174526022) has the molecular formula C23H23N5O3S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide
PubChem CID174526022
Molecular FormulaC23H23N5O3S2
Molecular Weight481.60 g/mol
Exact Mass481.12
IUPAC Name4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1c(-c2ccnc(Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3)n2)sc(=O)n1C
InChIInChI=1S/C23H23N5O3S2/c1-16-21(32-23(29)28(16)2)20-13-14-24-22(27-20)26-18-8-10-19(11-9-18)33(30,31)25-15-12-17-6-4-3-5-7-17/h3-11,13-14,25H,12,15H2,1-2H3,(H,24,26,27)
InChIKeyDAHLUKABBVPTFL-UHFFFAOYSA-N
XLogP3.48
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide
CID 174512129
3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide
CID 174526213
N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 69314380
4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 11540100
N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 10294302
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
4-hydrazinyl-N-(2-phenylethyl)benzenesulfonamide
CID 43454992
4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide
CID 112507244
N-(2-ethoxyethyl)-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 24887950
4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide
CID 6539026
4-[(4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide
CID 170987320
N-[3-(dimethylamino)propyl]-4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 68674614

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide (CID 174526022) is 4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide is Cc1c(-c2ccnc(Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3)n2)sc(=O)n1C.
What is the InChIKey of 4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is DAHLUKABBVPTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S2/c1-16-21(32-23(29)28(16)2)20-13-14-24-22(27-20)26-18-8-10-19(11-9-18)33(30,31)25-15-12-17-6-4-3-5-7-17/h3-11,13-14,25H,12,15H2,1-2H3,(H,24,26,27).
What are the key properties of 4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide?
4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 481.60 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 174526022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).