2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C19H19FN2O3S — CID 42392974

IUPAC2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)CSc2ccccc2F)ccc1N1CCCC1=O
InChIInChI=1S/C19H19FN2O3S/c1-25-16-11-13(8-9-15(16)22-10-4-7-19(22)24)21-18(23)12-26-17-6-3-2-5-14(17)20/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,21,23)
InChIKeyPPCSJUIUOBOLRY-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.69
Rot. Bonds6

About 2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 42392974) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID42392974
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)CSc2ccccc2F)ccc1N1CCCC1=O
InChIInChI=1S/C19H19FN2O3S/c1-25-16-11-13(8-9-15(16)22-10-4-7-19(22)24)21-18(23)12-26-17-6-3-2-5-14(17)20/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,21,23)
InChIKeyPPCSJUIUOBOLRY-UHFFFAOYSA-N
XLogP3.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686672
2-(2-fluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 31717118
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686701
2-(2-fluorophenoxy)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7687155
2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitrobenzamide
CID 42396738
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18140046
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 42396014
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34192175
3-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119699391
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 7686676

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 42392974) is 2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is COc1cc(NC(=O)CSc2ccccc2F)ccc1N1CCCC1=O.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is PPCSJUIUOBOLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-25-16-11-13(8-9-15(16)22-10-4-7-19(22)24)21-18(23)12-26-17-6-3-2-5-14(17)20/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,21,23).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 42392974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).