N-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C38H39F6N5O7S2 — CID 167637295

IUPACN-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCOCN(C(=O)Cc1ccncc1S(=O)(=O)CC)c1ccc(C(F)(F)F)cc1.CCS(=O)(=O)c1c(C(=O)N(C)c2ccc(C(F)(F)F)cc2)nc2ccc(C)cn12
InChIInChI=1S/C19H18F3N3O3S.C19H21F3N2O4S/c1-4-29(27,28)18-16(23-15-10-5-12(2)11-25(15)18)17(26)24(3)14-8-6-13(7-9-14)19(20,21)22;1-3-28-13-24(16-7-5-15(6-8-16)19(20,21)22)18(25)11-14-9-10-23-12-17(14)29(26,27)4-2/h5-11H,4H2,1-3H3;5-10,12H,3-4,11,13H2,1-2H3
InChIKeyOQUMILYIRTXGJS-UHFFFAOYSA-N
MW855.88 g/mol
LogP7.20
Rot. Bonds12

About N-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

N-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 167637295) has the molecular formula C38H39F6N5O7S2 and a molecular weight of 855.88 g/mol. Its IUPAC name is N-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID167637295
Molecular FormulaC38H39F6N5O7S2
Molecular Weight855.88 g/mol
Exact Mass855.22
IUPAC NameN-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCOCN(C(=O)Cc1ccncc1S(=O)(=O)CC)c1ccc(C(F)(F)F)cc1.CCS(=O)(=O)c1c(C(=O)N(C)c2ccc(C(F)(F)F)cc2)nc2ccc(C)cn12
InChIInChI=1S/C19H18F3N3O3S.C19H21F3N2O4S/c1-4-29(27,28)18-16(23-15-10-5-12(2)11-25(15)18)17(26)24(3)14-8-6-13(7-9-14)19(20,21)22;1-3-28-13-24(16-7-5-15(6-8-16)19(20,21)22)18(25)11-14-9-10-23-12-17(14)29(26,27)4-2/h5-11H,4H2,1-3H3;5-10,12H,3-4,11,13H2,1-2H3
InChIKeyOQUMILYIRTXGJS-UHFFFAOYSA-N
XLogP7.20
TPSA148.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.88
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate
CID 165178169
2-ethylsulfonyl-N,4-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;3-ethylsulfonyl-N,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-ethylsulfonyl-N,4-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;3-ethylsulfonyl-N,5-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;3-ethylsulfonyl-N-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxamide
CID 167549474
2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 170659360
3-ethylsulfonyl-2-fluoro-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 163663312
ethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate
CID 165178177
ethyl 2-[[[6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 165178188
disilver;bis(dichloromethane);bis(1-N,3-N-dimethyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide);bis(2,2,2-trifluoroacetate)
CID 139129295
methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 46941700
2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 170514772
6-methyl-N-propyl-2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxamide
CID 155560743
N,6-dimethyl-N-propyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126471424
ethyl 5-ethylsulfonyl-6-[3-oxo-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]pyridine-3-carboxylate
CID 155685797

Frequently Asked Questions

What is the IUPAC name of N-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 167637295) is N-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is CCOCN(C(=O)Cc1ccncc1S(=O)(=O)CC)c1ccc(C(F)(F)F)cc1.CCS(=O)(=O)c1c(C(=O)N(C)c2ccc(C(F)(F)F)cc2)nc2ccc(C)cn12.
What is the InChIKey of N-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is OQUMILYIRTXGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3S.C19H21F3N2O4S/c1-4-29(27,28)18-16(23-15-10-5-12(2)11-25(15)18)17(26)24(3)14-8-6-13(7-9-14)19(20,21)22;1-3-28-13-24(16-7-5-15(6-8-16)19(20,21)22)18(25)11-14-9-10-23-12-17(14)29(26,27)4-2/h5-11H,4H2,1-3H3;5-10,12H,3-4,11,13H2,1-2H3.
What are the key properties of N-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 855.88 g/mol, XLogP of 7.20, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)-2-(3-ethylsulfonyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]acetamide;3-ethylsulfonyl-N,6-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 167637295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).