N,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide

C22H30N6O4S — CID 50947593

IUPACN,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1cc(N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H30N6O4S/c1-17-16-20(24-22(23-17)28-12-14-32-15-13-28)26-8-10-27(11-9-26)21(29)18-4-6-19(7-5-18)33(30,31)25(2)3/h4-7,16H,8-15H2,1-3H3
InChIKeyHUOLBQVGOATPEQ-UHFFFAOYSA-N
MW474.59 g/mol
LogP0.83
Rot. Bonds5

About N,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide

N,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 50947593) has the molecular formula C22H30N6O4S and a molecular weight of 474.59 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID50947593
Molecular FormulaC22H30N6O4S
Molecular Weight474.59 g/mol
Exact Mass474.20
IUPAC NameN,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1cc(N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H30N6O4S/c1-17-16-20(24-22(23-17)28-12-14-32-15-13-28)26-8-10-27(11-9-26)21(29)18-4-6-19(7-5-18)33(30,31)25(2)3/h4-7,16H,8-15H2,1-3H3
InChIKeyHUOLBQVGOATPEQ-UHFFFAOYSA-N
XLogP0.83
TPSA99.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(dimethylamino)phenyl]-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333542
N,N-dimethyl-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 18120121
1,3-benzodioxol-5-yl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50946556
[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 122333584
(3-fluoro-4-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333575
N,N-dimethyl-4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-sulfonamide
CID 50947311
(3-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 121031903
1-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 122333541
1,3-benzothiazol-6-yl-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333497
(5-bromo-3-pyridinyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333504
(2,5-dimethylfuran-3-yl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333529
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122340045

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide (CID 50947593) is N,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide is Cc1cc(N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of N,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is HUOLBQVGOATPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O4S/c1-17-16-20(24-22(23-17)28-12-14-32-15-13-28)26-8-10-27(11-9-26)21(29)18-4-6-19(7-5-18)33(30,31)25(2)3/h4-7,16H,8-15H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide?
N,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 474.59 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 50947593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).