N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(6-methoxynaphthalen-2-yl)-2,6-di(propan-2-yl)phenyl]acetamide

C34H40N2O4S — CID 166008236

IUPACN-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(6-methoxynaphthalen-2-yl)-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCOc1ccc2cc(-c3cc(C(C)C)c(CC(=O)NS(=O)(=O)c4ccc(CN(C)C)cc4)c(C(C)C)c3)ccc2c1
InChIInChI=1S/C34H40N2O4S/c1-22(2)31-18-28(26-10-11-27-17-29(40-7)13-12-25(27)16-26)19-32(23(3)4)33(31)20-34(37)35-41(38,39)30-14-8-24(9-15-30)21-36(5)6/h8-19,22-23H,20-21H2,1-7H3,(H,35,37)
InChIKeyWVRNTKLGRDACIV-UHFFFAOYSA-N
MW572.77 g/mol
LogP6.87
Rot. Bonds10

About N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(6-methoxynaphthalen-2-yl)-2,6-di(propan-2-yl)phenyl]acetamide

N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(6-methoxynaphthalen-2-yl)-2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 166008236) has the molecular formula C34H40N2O4S and a molecular weight of 572.77 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(6-methoxynaphthalen-2-yl)-2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(6-methoxynaphthalen-2-yl)-2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID166008236
Molecular FormulaC34H40N2O4S
Molecular Weight572.77 g/mol
Exact Mass572.27
IUPAC NameN-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(6-methoxynaphthalen-2-yl)-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCOc1ccc2cc(-c3cc(C(C)C)c(CC(=O)NS(=O)(=O)c4ccc(CN(C)C)cc4)c(C(C)C)c3)ccc2c1
InChIInChI=1S/C34H40N2O4S/c1-22(2)31-18-28(26-10-11-27-17-29(40-7)13-12-25(27)16-26)19-32(23(3)4)33(31)20-34(37)35-41(38,39)30-14-8-24(9-15-30)21-36(5)6/h8-19,22-23H,20-21H2,1-7H3,(H,35,37)
InChIKeyWVRNTKLGRDACIV-UHFFFAOYSA-N
XLogP6.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.77
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-fluoro-3-methylphenyl)-2,6-di(propan-2-yl)phenyl]acetamide
CID 166008136
N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-isoquinolin-1-yl-2,6-di(propan-2-yl)phenyl]acetamide
CID 138579498
2-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide
CID 166008130
N-[amino-[4-[(dimethylamino)methyl]phenyl]-oxo-λ6-sulfanylidene]-2-[4-(3,4-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]acetamide
CID 137459166
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
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
N-[amino-[4-[(dimethylamino)methyl]phenyl]-oxo-λ6-sulfanylidene]-2-[4-(2-methylpyrimidin-5-yl)-2,6-di(propan-2-yl)phenyl]acetamide
CID 137459040
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-[amino-[4-[(dimethylamino)methyl]phenyl]-oxo-λ6-sulfanylidene]-2-[4-(2-oxo-1H-pyrimidin-5-yl)-2,6-di(propan-2-yl)phenyl]acetamide
CID 137459322
N-(4-ethylsulfonylphenyl)sulfonyl-2-[2-naphthalen-2-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]acetamide
CID 167627919
N-(3,5-dimethoxyphenyl)sulfonyl-2-(4-methylphenyl)acetamide
CID 166234668

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(6-methoxynaphthalen-2-yl)-2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(6-methoxynaphthalen-2-yl)-2,6-di(propan-2-yl)phenyl]acetamide (CID 166008236) is N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(6-methoxynaphthalen-2-yl)-2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(6-methoxynaphthalen-2-yl)-2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(6-methoxynaphthalen-2-yl)-2,6-di(propan-2-yl)phenyl]acetamide is COc1ccc2cc(-c3cc(C(C)C)c(CC(=O)NS(=O)(=O)c4ccc(CN(C)C)cc4)c(C(C)C)c3)ccc2c1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(6-methoxynaphthalen-2-yl)-2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is WVRNTKLGRDACIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O4S/c1-22(2)31-18-28(26-10-11-27-17-29(40-7)13-12-25(27)16-26)19-32(23(3)4)33(31)20-34(37)35-41(38,39)30-14-8-24(9-15-30)21-36(5)6/h8-19,22-23H,20-21H2,1-7H3,(H,35,37).
What are the key properties of N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(6-methoxynaphthalen-2-yl)-2,6-di(propan-2-yl)phenyl]acetamide?
N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(6-methoxynaphthalen-2-yl)-2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 572.77 g/mol, XLogP of 6.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(6-methoxynaphthalen-2-yl)-2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 166008236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).