2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C18H16Cl2N2O2S — CID 42238821

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C18H16Cl2N2O2S/c19-12-7-8-13(20)16(10-12)25-11-17(23)21-14-4-1-2-5-15(14)22-9-3-6-18(22)24/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,21,23)
InChIKeyRUEJKBYBZXLBSP-UHFFFAOYSA-N
MW395.31 g/mol
LogP4.85
Rot. Bonds5

About 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 42238821) has the molecular formula C18H16Cl2N2O2S and a molecular weight of 395.31 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID42238821
Molecular FormulaC18H16Cl2N2O2S
Molecular Weight395.31 g/mol
Exact Mass394.03
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C18H16Cl2N2O2S/c19-12-7-8-13(20)16(10-12)25-11-17(23)21-14-4-1-2-5-15(14)22-9-3-6-18(22)24/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,21,23)
InChIKeyRUEJKBYBZXLBSP-UHFFFAOYSA-N
XLogP4.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42238824
2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46667553
4-chloro-2-fluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17499343
2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35358026
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylsulfanylpropanamide
CID 26955397
2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 7870586
2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
CID 112789398
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27717418
5-chloro-2-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17488699
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26955686

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 42238821) is 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(CSc1cc(Cl)ccc1Cl)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is RUEJKBYBZXLBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S/c19-12-7-8-13(20)16(10-12)25-11-17(23)21-14-4-1-2-5-15(14)22-9-3-6-18(22)24/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,21,23).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 395.31 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 42238821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).