N-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C20H25FN2O3S — CID 100794508

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccccc2F)c(C)c1
InChIInChI=1S/C20H25FN2O3S/c1-14-10-15(2)20(16(3)11-14)27(25,26)23(5)13-19(24)22(4)12-17-8-6-7-9-18(17)21/h6-11H,12-13H2,1-5H3
InChIKeyQNGDZOYBZGZSOO-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.03
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 100794508) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID100794508
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccccc2F)c(C)c1
InChIInChI=1S/C20H25FN2O3S/c1-14-10-15(2)20(16(3)11-14)27(25,26)23(5)13-19(24)22(4)12-17-8-6-7-9-18(17)21/h6-11H,12-13H2,1-5H3
InChIKeyQNGDZOYBZGZSOO-UHFFFAOYSA-N
XLogP3.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100795048
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100781673
N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 112789802
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 8807880
2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate
CID 7439655
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 31138692
N-[(2-fluorophenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86908480
N-[(2-bromophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 34866736
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100797053
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 9368344

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 100794508) is N-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccccc2F)c(C)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is QNGDZOYBZGZSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-14-10-15(2)20(16(3)11-14)27(25,26)23(5)13-19(24)22(4)12-17-8-6-7-9-18(17)21/h6-11H,12-13H2,1-5H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 100794508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).