N-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

C24H34N2O3S — CID 43901431

IUPACN-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)NC(C)CC(C)(C)c2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C24H34N2O3S/c1-17-13-18(2)23(19(3)14-17)26(30(7,28)29)16-22(27)25-20(4)15-24(5,6)21-11-9-8-10-12-21/h8-14,20H,15-16H2,1-7H3,(H,25,27)
InChIKeyUAMIWZUQRJGVJI-UHFFFAOYSA-N
MW430.61 g/mol
LogP4.25
Rot. Bonds8

About N-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

N-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 43901431) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is N-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
PubChem CID43901431
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC NameN-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)NC(C)CC(C)(C)c2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C24H34N2O3S/c1-17-13-18(2)23(19(3)14-17)26(30(7,28)29)16-22(27)25-20(4)15-24(5,6)21-11-9-8-10-12-21/h8-14,20H,15-16H2,1-7H3,(H,25,27)
InChIKeyUAMIWZUQRJGVJI-UHFFFAOYSA-N
XLogP4.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 43895242
N-(4-methyl-4-phenylpentan-2-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43896244
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 43895699
N-[(2R)-3-methylbutan-2-yl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 125072566
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 43899102
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 43894010
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2854471
N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30268728
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 44828236
4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide
CID 133202217
N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30274932
4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(2R)-4-methyl-4-phenylpentan-2-yl]butanamide
CID 100524193

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (CID 43901431) is N-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is Cc1cc(C)c(N(CC(=O)NC(C)CC(C)(C)c2ccccc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is UAMIWZUQRJGVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-17-13-18(2)23(19(3)14-17)26(30(7,28)29)16-22(27)25-20(4)15-24(5,6)21-11-9-8-10-12-21/h8-14,20H,15-16H2,1-7H3,(H,25,27).
What are the key properties of N-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
N-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 430.61 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 43901431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).