N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C14H13ClF3N3O3S — CID 2621003

IUPACN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)NC(=O)CN1CCCC1=O
InChIInChI=1S/C14H13ClF3N3O3S/c15-9-4-8(14(16,17)18)5-19-13(9)25-7-11(23)20-10(22)6-21-3-1-2-12(21)24/h4-5H,1-3,6-7H2,(H,20,22,23)
InChIKeyIEDFVCLDNMAMDE-UHFFFAOYSA-N
MW395.79 g/mol
LogP2.11
Rot. Bonds5

About N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 2621003) has the molecular formula C14H13ClF3N3O3S and a molecular weight of 395.79 g/mol. Its IUPAC name is N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID2621003
Molecular FormulaC14H13ClF3N3O3S
Molecular Weight395.79 g/mol
Exact Mass395.03
IUPAC NameN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)NC(=O)CN1CCCC1=O
InChIInChI=1S/C14H13ClF3N3O3S/c15-9-4-8(14(16,17)18)5-19-13(9)25-7-11(23)20-10(22)6-21-3-1-2-12(21)24/h4-5H,1-3,6-7H2,(H,20,22,23)
InChIKeyIEDFVCLDNMAMDE-UHFFFAOYSA-N
XLogP2.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.79
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2484257
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(methylcarbamoyl)acetamide
CID 2484295
N-(tert-butylcarbamoyl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 3997484
1-[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]imidazolidin-2-one
CID 8002417
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide
CID 4968398
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 2484307
6-Amino-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
CID 2507245
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 3773685
N-carbamoyl-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide
CID 3905338
2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 4967439
N-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide
CID 2107692
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 2504987

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 2621003) is N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CSc1ncc(C(F)(F)F)cc1Cl)NC(=O)CN1CCCC1=O.
What is the InChIKey of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is IEDFVCLDNMAMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O3S/c15-9-4-8(14(16,17)18)5-19-13(9)25-7-11(23)20-10(22)6-21-3-1-2-12(21)24/h4-5H,1-3,6-7H2,(H,20,22,23).
What are the key properties of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 395.79 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 2621003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).