2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide

C19H20F2N2OS — CID 8871255

IUPAC2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(CSc1cc(F)ccc1F)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C19H20F2N2OS/c20-15-5-8-17(21)18(11-15)25-13-19(24)22-16-6-3-14(4-7-16)12-23-9-1-2-10-23/h3-8,11H,1-2,9-10,12-13H2,(H,22,24)
InChIKeyNTJPRVFKSSGYON-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.29
Rot. Bonds6

About 2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide

2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide (PubChem CID 8871255) has the molecular formula C19H20F2N2OS and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
PubChem CID8871255
Molecular FormulaC19H20F2N2OS
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(CSc1cc(F)ccc1F)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C19H20F2N2OS/c20-15-5-8-17(21)18(11-15)25-13-19(24)22-16-6-3-14(4-7-16)12-23-9-1-2-10-23/h3-8,11H,1-2,9-10,12-13H2,(H,22,24)
InChIKeyNTJPRVFKSSGYON-UHFFFAOYSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 8771186
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 17417522
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108739319
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 60510437
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22195442
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide
CID 9045999

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide (CID 8871255) is 2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide is O=C(CSc1cc(F)ccc1F)Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is NTJPRVFKSSGYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2OS/c20-15-5-8-17(21)18(11-15)25-13-19(24)22-16-6-3-14(4-7-16)12-23-9-1-2-10-23/h3-8,11H,1-2,9-10,12-13H2,(H,22,24).
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 362.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 8871255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).