acetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane

C64H103BrN4O10PdS2Sn — CID 167567562

IUPACacetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane
SMILESCC(=O)O.CC(=O)O.CC(C)c1cc(Br)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCC[Sn](C)(CCCC)CCCC.Cc1cc(C(C)C)c(CC(=O)NS(=O)(=O)c2ccc(CN(C)C)cc2)c(C(C)C)c1.[Pd]
InChIInChI=1S/C24H34N2O3S.C23H31BrN2O3S.3C4H9.2C2H4O2.CH3.Pd.Sn/c1-16(2)21-12-18(5)13-22(17(3)4)23(21)14-24(27)25-30(28,29)20-10-8-19(9-11-20)15-26(6)7;1-15(2)20-11-18(24)12-21(16(3)4)22(20)13-23(27)25-30(28,29)19-9-7-17(8-10-19)14-26(5)6;3*1-3-4-2;2*1-2(3)4;;;/h8-13,16-17H,14-15H2,1-7H3,(H,25,27);7-12,15-16H,13-14H2,1-6H3,(H,25,27);3*1,3-4H2,2H3;2*1H3,(H,3,4);1H3;;
InChIKeyVOCBEFOJCCGHNF-UHFFFAOYSA-N
MW1457.71 g/mol
LogP14.80
Rot. Bonds25

About acetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane

acetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane (PubChem CID 167567562) has the molecular formula C64H103BrN4O10PdS2Sn and a molecular weight of 1457.71 g/mol. Its IUPAC name is acetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane.

Molecular Properties

Compound Nameacetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane
PubChem CID167567562
Molecular FormulaC64H103BrN4O10PdS2Sn
Molecular Weight1457.71 g/mol
Exact Mass1456.44
IUPAC Nameacetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane
SMILESCC(=O)O.CC(=O)O.CC(C)c1cc(Br)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCC[Sn](C)(CCCC)CCCC.Cc1cc(C(C)C)c(CC(=O)NS(=O)(=O)c2ccc(CN(C)C)cc2)c(C(C)C)c1.[Pd]
InChIInChI=1S/C24H34N2O3S.C23H31BrN2O3S.3C4H9.2C2H4O2.CH3.Pd.Sn/c1-16(2)21-12-18(5)13-22(17(3)4)23(21)14-24(27)25-30(28,29)20-10-8-19(9-11-20)15-26(6)7;1-15(2)20-11-18(24)12-21(16(3)4)22(20)13-23(27)25-30(28,29)19-9-7-17(8-10-19)14-26(5)6;3*1-3-4-2;2*1-2(3)4;;;/h8-13,16-17H,14-15H2,1-7H3,(H,25,27);7-12,15-16H,13-14H2,1-6H3,(H,25,27);3*1,3-4H2,2H3;2*1H3,(H,3,4);1H3;;
InChIKeyVOCBEFOJCCGHNF-UHFFFAOYSA-N
XLogP14.80
TPSA207.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001457.71
LogP ≤ 514.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze acetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane with MolForge

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Related Compounds

2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 167543322
2-[4-(2-cyanophenyl)-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide
CID 138579533
2-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide
CID 166008130
2-[4-cycloheptyl-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide
CID 138579681
2-[4-bromo-2,6-di(propan-2-yl)phenyl]acetic acid;cyclopropylboronic acid;2-[4-cyclopropyl-2,6-di(propan-2-yl)phenyl]acetic acid;2-[4-cyclopropyl-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;4-[(dimethylamino)methyl]benzenesulfonamide
CID 167534692
N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(2-fluoro-3-methylphenyl)-2,6-di(propan-2-yl)phenyl]acetamide
CID 166008136
N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[2,6-di(propan-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acetamide
CID 166008175
2-[4-[2-[[4-[(dimethylamino)methyl]phenyl]sulfonylamino]-2-oxoethyl]-3,5-di(propan-2-yl)phenyl]benzamide
CID 166008260
N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-isoquinolin-1-yl-2,6-di(propan-2-yl)phenyl]acetamide
CID 138579498
N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide
CID 163479274
N-[amino-[4-[(dimethylamino)methyl]phenyl]-oxo-λ6-sulfanylidene]-2-(4-cyano-2-ethyl-6-propan-2-ylphenyl)acetamide
CID 137459027
N-[3-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 155464142

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane?
The IUPAC name of acetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane (CID 167567562) is acetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane.
What is the SMILES notation for acetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane?
The canonical SMILES for acetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane is CC(=O)O.CC(=O)O.CC(C)c1cc(Br)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCC[Sn](C)(CCCC)CCCC.Cc1cc(C(C)C)c(CC(=O)NS(=O)(=O)c2ccc(CN(C)C)cc2)c(C(C)C)c1.[Pd].
What is the InChIKey of acetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane?
The InChIKey is VOCBEFOJCCGHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S.C23H31BrN2O3S.3C4H9.2C2H4O2.CH3.Pd.Sn/c1-16(2)21-12-18(5)13-22(17(3)4)23(21)14-24(27)25-30(28,29)20-10-8-19(9-11-20)15-26(6)7;1-15(2)20-11-18(24)12-21(16(3)4)22(20)13-23(27)25-30(28,29)19-9-7-17(8-10-19)14-26(5)6;3*1-3-4-2;2*1-2(3)4;;;/h8-13,16-17H,14-15H2,1-7H3,(H,25,27);7-12,15-16H,13-14H2,1-6H3,(H,25,27);3*1,3-4H2,2H3;2*1H3,(H,3,4);1H3;;.
What are the key properties of acetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane?
acetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane has a molecular weight of 1457.71 g/mol, XLogP of 14.80, 25 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane is sourced from PubChem (CID 167567562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).