N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide

C19H19F2N3O2S2 — CID 55534910

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(=O)N2CCCC2)cn1)Nc1ccccc1SC(F)F
InChIInChI=1S/C19H19F2N3O2S2/c20-19(21)28-15-6-2-1-5-14(15)23-16(25)12-27-17-8-7-13(11-22-17)18(26)24-9-3-4-10-24/h1-2,5-8,11,19H,3-4,9-10,12H2,(H,23,25)
InChIKeyGCZALWCNDGUKAB-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.36
Rot. Bonds7

About N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 55534910) has the molecular formula C19H19F2N3O2S2 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID55534910
Molecular FormulaC19H19F2N3O2S2
Molecular Weight423.51 g/mol
Exact Mass423.09
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(=O)N2CCCC2)cn1)Nc1ccccc1SC(F)F
InChIInChI=1S/C19H19F2N3O2S2/c20-19(21)28-15-6-2-1-5-14(15)23-16(25)12-27-17-8-7-13(11-22-17)18(26)24-9-3-4-10-24/h1-2,5-8,11,19H,3-4,9-10,12H2,(H,23,25)
InChIKeyGCZALWCNDGUKAB-UHFFFAOYSA-N
XLogP4.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
CID 71898976
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
CID 25343449
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
CID 55535112
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 42000152
[6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 38081740
N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
CID 32941899
N-[2-(difluoromethylsulfanyl)phenyl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 16597298
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]ethanone
CID 55539083
(6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 142545270
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]ethanone
CID 52559891
6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 66464448

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide (CID 55534910) is N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide is O=C(CSc1ccc(C(=O)N2CCCC2)cn1)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is GCZALWCNDGUKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2S2/c20-19(21)28-15-6-2-1-5-14(15)23-16(25)12-27-17-8-7-13(11-22-17)18(26)24-9-3-4-10-24/h1-2,5-8,11,19H,3-4,9-10,12H2,(H,23,25).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 423.51 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 55534910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).