N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide

C15H13ClFN3O2S — CID 2534109

IUPACN-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ccccc1F)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13ClFN3O2S/c16-10-5-6-13(18-7-10)20-15(22)9-23-8-14(21)19-12-4-2-1-3-11(12)17/h1-7H,8-9H2,(H,19,21)(H,18,20,22)
InChIKeySNSCXPALTNSTMM-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.18
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide

N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 2534109) has the molecular formula C15H13ClFN3O2S and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID2534109
Molecular FormulaC15H13ClFN3O2S
Molecular Weight353.81 g/mol
Exact Mass353.04
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ccccc1F)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13ClFN3O2S/c16-10-5-6-13(18-7-10)20-15(22)9-23-8-14(21)19-12-4-2-1-3-11(12)17/h1-7H,8-9H2,(H,19,21)(H,18,20,22)
InChIKeySNSCXPALTNSTMM-UHFFFAOYSA-N
XLogP3.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9456862
1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
CID 901016
N-(5-chloro-2-pyridinyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 5141779
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525471
(4-chlorophenyl)methyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812602
4-N-(5-chloro-2-pyridinyl)-1-N-(2-fluorophenyl)piperidine-1,4-dicarboxamide
CID 47065712
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 50773812
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 56525461
N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 3918454
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
N-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide
CID 87033616
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355006

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide (CID 2534109) is N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide is O=C(CSCC(=O)Nc1ccccc1F)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is SNSCXPALTNSTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2S/c16-10-5-6-13(18-7-10)20-15(22)9-23-8-14(21)19-12-4-2-1-3-11(12)17/h1-7H,8-9H2,(H,19,21)(H,18,20,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 353.81 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 2534109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).