N-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

C17H17F2N3O3S2 — CID 7779570

IUPACN-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1c(F)cccc1F
InChIInChI=1S/C17H17F2N3O3S2/c18-13-4-3-5-14(19)17(13)21-15(23)11-26-16-7-6-12(10-20-16)27(24,25)22-8-1-2-9-22/h3-7,10H,1-2,8-9,11H2,(H,21,23)
InChIKeyJLRHQCMTOYRPNH-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.88
Rot. Bonds6

About N-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

N-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 7779570) has the molecular formula C17H17F2N3O3S2 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID7779570
Molecular FormulaC17H17F2N3O3S2
Molecular Weight413.47 g/mol
Exact Mass413.07
IUPAC NameN-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1c(F)cccc1F
InChIInChI=1S/C17H17F2N3O3S2/c18-13-4-3-5-14(19)17(13)21-15(23)11-26-16-7-6-12(10-20-16)27(24,25)22-8-1-2-9-22/h3-7,10H,1-2,8-9,11H2,(H,21,23)
InChIKeyJLRHQCMTOYRPNH-UHFFFAOYSA-N
XLogP2.88
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117219
N-(4-chlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117204
N-(3-chlorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779532
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27585979
N-cyclopentyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779585
N-carbamoyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7561697
N-[(2R)-butan-2-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779648
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7594028
2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
CID 7778912
N-(4-methoxyphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7759366
N-(2,5-dimethylphenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7594047
2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7593941

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (CID 7779570) is N-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is JLRHQCMTOYRPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3S2/c18-13-4-3-5-14(19)17(13)21-15(23)11-26-16-7-6-12(10-20-16)27(24,25)22-8-1-2-9-22/h3-7,10H,1-2,8-9,11H2,(H,21,23).
What are the key properties of N-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
N-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 413.47 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 7779570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).