N-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide

C17H17F3N2O3S — CID 46813127

IUPACN-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Sc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C17H17F3N2O3S/c1-10(26-15-7-4-11(9-21-15)17(18,19)20)16(23)22-13-8-12(24-2)5-6-14(13)25-3/h4-10H,1-3H3,(H,22,23)
InChIKeyAUXDYZOQZXLJJV-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.24
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide

N-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide (PubChem CID 46813127) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
PubChem CID46813127
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Sc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C17H17F3N2O3S/c1-10(26-15-7-4-11(9-21-15)17(18,19)20)16(23)22-13-8-12(24-2)5-6-14(13)25-3/h4-10H,1-3H3,(H,22,23)
InChIKeyAUXDYZOQZXLJJV-UHFFFAOYSA-N
XLogP4.24
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-Dimethoxy-phenylcarbamoyl)-methylsulfanyl]-nicotinic acid
CID 652069
2-[(2,5-dimethoxyphenyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one
CID 973898
N-(3-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 659569
N-(2,5-dimethoxyphenyl)-2-{[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]thio}acetamide
CID 1258683
N-(2,5-diethoxyphenyl)-2-[(2-pyridin-2-ylethyl)thio]acetamide
CID 3275371
N-(2,5-diethoxyphenyl)-3-[(2-pyridin-2-ylethyl)thio]propanamide
CID 4600210
N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 4882766
N-(3-methoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2340488
N-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2478959
N-(2-methoxy-4-nitrophenyl)-2-(pyridin-2-ylthio)acetamide
CID 3986424
N-(2,5-dimethoxyphenyl)-2-{[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
CID 2985610
N-(2,5-dimethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222455

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide (CID 46813127) is N-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide is COc1ccc(OC)c(NC(=O)C(C)Sc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide?
The InChIKey is AUXDYZOQZXLJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-10(26-15-7-4-11(9-21-15)17(18,19)20)16(23)22-13-8-12(24-2)5-6-14(13)25-3/h4-10H,1-3H3,(H,22,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide?
N-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide has a molecular weight of 386.40 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide is sourced from PubChem (CID 46813127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).