2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C25H27FN2O3S — CID 100781673

IUPAC2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2F)Cc2ccccc2)c1
InChIInChI=1S/C25H27FN2O3S/c1-19-13-14-20(2)24(15-19)32(30,31)28(16-21-9-5-4-6-10-21)18-25(29)27(3)17-22-11-7-8-12-23(22)26/h4-15H,16-18H2,1-3H3
InChIKeyQYAQJAXLUXGIGF-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.29
Rot. Bonds8

About 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 100781673) has the molecular formula C25H27FN2O3S and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID100781673
Molecular FormulaC25H27FN2O3S
Molecular Weight454.57 g/mol
Exact Mass454.17
IUPAC Name2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2F)Cc2ccccc2)c1
InChIInChI=1S/C25H27FN2O3S/c1-19-13-14-20(2)24(15-19)32(30,31)28(16-21-9-5-4-6-10-21)18-25(29)27(3)17-22-11-7-8-12-23(22)26/h4-15H,16-18H2,1-3H3
InChIKeyQYAQJAXLUXGIGF-UHFFFAOYSA-N
XLogP4.29
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.29
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
N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
CID 120664269
N-[(2-fluorophenyl)methyl]-N-methyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100794508
N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782528
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 100781833
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100797053
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100790660
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N,N-diethylacetamide
CID 100782521
N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-methylacetamide
CID 1323789
2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100798288
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781983
2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 2108598

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 100781673) is 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is Cc1ccc(C)c(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2F)Cc2ccccc2)c1.
What is the InChIKey of 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is QYAQJAXLUXGIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3S/c1-19-13-14-20(2)24(15-19)32(30,31)28(16-21-9-5-4-6-10-21)18-25(29)27(3)17-22-11-7-8-12-23(22)26/h4-15H,16-18H2,1-3H3.
What are the key properties of 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 454.57 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 100781673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).