N-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide

C18H18FN3O3S — CID 78876668

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide
SMILESCc1cc(CNC(=O)CS(=O)(=O)Cc2cn3ccccc3n2)ccc1F
InChIInChI=1S/C18H18FN3O3S/c1-13-8-14(5-6-16(13)19)9-20-18(23)12-26(24,25)11-15-10-22-7-3-2-4-17(22)21-15/h2-8,10H,9,11-12H2,1H3,(H,20,23)
InChIKeyMYLDGWJDAUNAQG-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.01
Rot. Bonds6

About N-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide (PubChem CID 78876668) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide
PubChem CID78876668
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide
SMILESCc1cc(CNC(=O)CS(=O)(=O)Cc2cn3ccccc3n2)ccc1F
InChIInChI=1S/C18H18FN3O3S/c1-13-8-14(5-6-16(13)19)9-20-18(23)12-26(24,25)11-15-10-22-7-3-2-4-17(22)21-15/h2-8,10H,9,11-12H2,1H3,(H,20,23)
InChIKeyMYLDGWJDAUNAQG-UHFFFAOYSA-N
XLogP2.01
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline
CID 55118825
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide
CID 39293355
1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 111844940
1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanesulfonamide
CID 165442818
N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 53167047
1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 47766787
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 87005324
2-(4-chlorophenoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 8917153
2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine
CID 71974623
2-(2,4-difluoro-N-formylanilino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 166694179
1-[(4-fluoro-3-methylphenyl)methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 42954367
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide
CID 50979857

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide (CID 78876668) is N-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide is Cc1cc(CNC(=O)CS(=O)(=O)Cc2cn3ccccc3n2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide?
The InChIKey is MYLDGWJDAUNAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-13-8-14(5-6-16(13)19)9-20-18(23)12-26(24,25)11-15-10-22-7-3-2-4-17(22)21-15/h2-8,10H,9,11-12H2,1H3,(H,20,23).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)acetamide is sourced from PubChem (CID 78876668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).