N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

C24H32N2O4S — CID 100661394

IUPACN-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C24H32N2O4S/c1-18-14-19(2)23(20(3)15-18)26(31(4,28)29)16-22(27)25-17-24(10-12-30-13-11-24)21-8-6-5-7-9-21/h5-9,14-15H,10-13,16-17H2,1-4H3,(H,25,27)
InChIKeyIHXPAMBZCQJTHP-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.24
Rot. Bonds7

About N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 100661394) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
PubChem CID100661394
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C24H32N2O4S/c1-18-14-19(2)23(20(3)15-18)26(31(4,28)29)16-22(27)25-17-24(10-12-30-13-11-24)21-8-6-5-7-9-21/h5-9,14-15H,10-13,16-17H2,1-4H3,(H,25,27)
InChIKeyIHXPAMBZCQJTHP-UHFFFAOYSA-N
XLogP3.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 100507549
3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100653623
N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30278155
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 100602099
5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 120623335
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 100579289
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
N-[(4-methylphenyl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30263870
N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
CID 27451627
2-[(3-methylphenyl)methylsulfanyl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 95933084
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55831338
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (CID 100661394) is N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is Cc1cc(C)c(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is IHXPAMBZCQJTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-18-14-19(2)23(20(3)15-18)26(31(4,28)29)16-22(27)25-17-24(10-12-30-13-11-24)21-8-6-5-7-9-21/h5-9,14-15H,10-13,16-17H2,1-4H3,(H,25,27).
What are the key properties of N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 444.60 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 100661394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).