N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide

C24H37N5O2S — CID 141223857

IUPACN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NC2CCC(Nc3cc(N(C)C)nc(C)n3)CC2)cc1
InChIInChI=1S/C24H37N5O2S/c1-7-24(3,4)18-8-14-21(15-9-18)32(30,31)28-20-12-10-19(11-13-20)27-22-16-23(29(5)6)26-17(2)25-22/h8-9,14-16,19-20,28H,7,10-13H2,1-6H3,(H,25,26,27)
InChIKeyKZAWHEBVQMZACG-UHFFFAOYSA-N
MW459.66 g/mol
LogP4.24
Rot. Bonds8

About N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 141223857) has the molecular formula C24H37N5O2S and a molecular weight of 459.66 g/mol. Its IUPAC name is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID141223857
Molecular FormulaC24H37N5O2S
Molecular Weight459.66 g/mol
Exact Mass459.27
IUPAC NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NC2CCC(Nc3cc(N(C)C)nc(C)n3)CC2)cc1
InChIInChI=1S/C24H37N5O2S/c1-7-24(3,4)18-8-14-21(15-9-18)32(30,31)28-20-12-10-19(11-13-20)27-22-16-23(29(5)6)26-17(2)25-22/h8-9,14-16,19-20,28H,7,10-13H2,1-6H3,(H,25,26,27)
InChIKeyKZAWHEBVQMZACG-UHFFFAOYSA-N
XLogP4.24
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.66
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 141223964
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide
CID 141223938
4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967100
[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid
CID 68977621
4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine
CID 91320744
6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
CID 141223810
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 56698937
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide
CID 11574826
6-N-[4-[2-(4-chlorophenoxy)ethylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
CID 141224005
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide
CID 141223776
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-9,10-dioxoanthracene-2-carboxamide
CID 141223961
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 141223813

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide (CID 141223857) is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)c1ccc(S(=O)(=O)NC2CCC(Nc3cc(N(C)C)nc(C)n3)CC2)cc1.
What is the InChIKey of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is KZAWHEBVQMZACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O2S/c1-7-24(3,4)18-8-14-21(15-9-18)32(30,31)28-20-12-10-19(11-13-20)27-22-16-23(29(5)6)26-17(2)25-22/h8-9,14-16,19-20,28H,7,10-13H2,1-6H3,(H,25,26,27).
What are the key properties of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide?
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 459.66 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 141223857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).