2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide

C16H11ClF3N3OS — CID 4968095

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide
SMILESCC(Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H11ClF3N3OS/c1-9(14(24)23-12-4-2-3-10(5-12)7-21)25-15-13(17)6-11(8-22-15)16(18,19)20/h2-6,8-9H,1H3,(H,23,24)
InChIKeyHNMMUQBTXKITHL-UHFFFAOYSA-N
MW385.80 g/mol
LogP4.74
Rot. Bonds4

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide (PubChem CID 4968095) has the molecular formula C16H11ClF3N3OS and a molecular weight of 385.80 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide
PubChem CID4968095
Molecular FormulaC16H11ClF3N3OS
Molecular Weight385.80 g/mol
Exact Mass385.03
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide
SMILESCC(Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H11ClF3N3OS/c1-9(14(24)23-12-4-2-3-10(5-12)7-21)25-15-13(17)6-11(8-22-15)16(18,19)20/h2-6,8-9H,1H3,(H,23,24)
InChIKeyHNMMUQBTXKITHL-UHFFFAOYSA-N
XLogP4.74
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 78797006
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 51319472
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-cyanophenyl)propanamide
CID 2470642
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 4856563
(2S)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)propanamide
CID 7845394
methyl 2-chloro-5-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]sulfanylbenzoate
CID 96535611
(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 7624496
(2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40529318
N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452550
N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268560
(2R)-N-(3-cyanophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7594080
N-(3-fluorophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 46658841

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide (CID 4968095) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide is CC(Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide?
The InChIKey is HNMMUQBTXKITHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3OS/c1-9(14(24)23-12-4-2-3-10(5-12)7-21)25-15-13(17)6-11(8-22-15)16(18,19)20/h2-6,8-9H,1H3,(H,23,24).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide has a molecular weight of 385.80 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 4968095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).