4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide

C24H30N4O3S2 — CID 146641050

IUPAC4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide
SMILESCC(C)Cn1cc(-c2cnsc2)cc(NC2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)c1=O
InChIInChI=1S/C24H30N4O3S2/c1-16(2)13-28-14-19(20-12-26-32-15-20)11-23(24(28)29)27-21-7-3-17(4-8-21)18-5-9-22(10-6-18)33(25,30)31/h5-6,9-12,14-17,21,27H,3-4,7-8,13H2,1-2H3,(H2,25,30,31)
InChIKeyFOCKWEATKQHRAE-UHFFFAOYSA-N
MW486.66 g/mol
LogP4.41
Rot. Bonds7

About 4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide

4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide (PubChem CID 146641050) has the molecular formula C24H30N4O3S2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide
PubChem CID146641050
Molecular FormulaC24H30N4O3S2
Molecular Weight486.66 g/mol
Exact Mass486.18
IUPAC Name4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide
SMILESCC(C)Cn1cc(-c2cnsc2)cc(NC2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)c1=O
InChIInChI=1S/C24H30N4O3S2/c1-16(2)13-28-14-19(20-12-26-32-15-20)11-23(24(28)29)27-21-7-3-17(4-8-21)18-5-9-22(10-6-18)33(25,30)31/h5-6,9-12,14-17,21,27H,3-4,7-8,13H2,1-2H3,(H2,25,30,31)
InChIKeyFOCKWEATKQHRAE-UHFFFAOYSA-N
XLogP4.41
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one
CID 146640819
1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one
CID 146640961
1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one
CID 146641031
1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one
CID 146641029
3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
CID 146640813
4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 29302845
CID 67861960
CID 67861960
3-(cyclopropylamino)-4-methoxybenzenesulfonamide
CID 103439129
4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide
CID 107427895
4-[[5-[(1S,3R)-3-[(4-propan-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 171087544
4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112867516
4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64502296

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide (CID 146641050) is 4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide is CC(C)Cn1cc(-c2cnsc2)cc(NC2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)c1=O.
What is the InChIKey of 4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide?
The InChIKey is FOCKWEATKQHRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S2/c1-16(2)13-28-14-19(20-12-26-32-15-20)11-23(24(28)29)27-21-7-3-17(4-8-21)18-5-9-22(10-6-18)33(25,30)31/h5-6,9-12,14-17,21,27H,3-4,7-8,13H2,1-2H3,(H2,25,30,31).
What are the key properties of 4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide?
4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide has a molecular weight of 486.66 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 146641050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).