N-[1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide

C22H21F6N3O3S — CID 87495025

IUPACN-[1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SMILESCCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)C(C)c1cn2cc(F)cc(F)c2n1
InChIInChI=1S/C22H21F6N3O3S/c1-3-35(33,34)7-6-31(13(2)19-12-30-11-15(23)10-18(25)21(30)29-19)20(32)9-14-4-5-17(24)16(8-14)22(26,27)28/h4-5,8,10-13H,3,6-7,9H2,1-2H3
InChIKeyHBLGYTBWVPCGJS-UHFFFAOYSA-N
MW521.48 g/mol
LogP4.34
Rot. Bonds8

About N-[1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide

N-[1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 87495025) has the molecular formula C22H21F6N3O3S and a molecular weight of 521.48 g/mol. Its IUPAC name is N-[1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID87495025
Molecular FormulaC22H21F6N3O3S
Molecular Weight521.48 g/mol
Exact Mass521.12
IUPAC NameN-[1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SMILESCCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)C(C)c1cn2cc(F)cc(F)c2n1
InChIInChI=1S/C22H21F6N3O3S/c1-3-35(33,34)7-6-31(13(2)19-12-30-11-15(23)10-18(25)21(30)29-19)20(32)9-14-4-5-17(24)16(8-14)22(26,27)28/h4-5,8,10-13H,3,6-7,9H2,1-2H3
InChIKeyHBLGYTBWVPCGJS-UHFFFAOYSA-N
XLogP4.34
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Zolpidem
CID 5732
(R)-N-(1-(1-(4-cyanophenyl)-4-phenyl-1H-imidazol-2-yl)ethyl)-N-(2-(ethylsulfonyl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamide
CID 44455604
N-[(1R)-1-[3-(4-cyanophenyl)-8-cyclopropylimidazo[1,2-a]pyrazin-2-yl]ethyl]-N-[(1,1-dioxothian-4-yl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
CID 45379650
(R)-N-(1-(3-(4-cyanophenyl)-8-methoxyimidazo[1,2-a]pyrazin-2-yl)ethyl)-N-(2-(ethylsulfonyl)ethyl)-2-(3-fluoro-4-(trifluoromethyl)phenyl)acetamide
CID 45486523
(R)-N-(1-(3-(4-cyanophenyl)-8-cyclopropylimidazo[1,2-a]pyrazin-2-yl)ethyl)-N-(2-(ethylsulfonyl)ethyl)-2-(3-fluoro-4-(trifluoromethyl)phenyl)acetamide
CID 45486526
N-[(1R)-1-[3-(4-cyanophenyl)-8-cyclopropylimidazo[1,2-a]pyrazin-2-yl]ethyl]-N-[(1,1-dioxothian-4-yl)methyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 45486531
N,N-dibutyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 10361367
2-(6-Methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10498000
2-(2-Phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10520807
N,N-dihexyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 10598186
2-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 10784005
2-(6-Iodo-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10790169

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide (CID 87495025) is N-[1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide is CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)C(C)c1cn2cc(F)cc(F)c2n1.
What is the InChIKey of N-[1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HBLGYTBWVPCGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F6N3O3S/c1-3-35(33,34)7-6-31(13(2)19-12-30-11-15(23)10-18(25)21(30)29-19)20(32)9-14-4-5-17(24)16(8-14)22(26,27)28/h4-5,8,10-13H,3,6-7,9H2,1-2H3.
What are the key properties of N-[1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
N-[1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 521.48 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,8-difluoroimidazo[1,2-a]pyridin-2-yl)ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 87495025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).