2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C18H16Cl2N2O2S — CID 42238824

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H16Cl2N2O2S/c19-12-6-7-15(20)16(9-12)25-11-17(23)21-13-3-1-4-14(10-13)22-8-2-5-18(22)24/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,21,23)
InChIKeyJWZWKGZVUVXBFT-UHFFFAOYSA-N
MW395.31 g/mol
LogP4.85
Rot. Bonds5

About 2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 42238824) has the molecular formula C18H16Cl2N2O2S and a molecular weight of 395.31 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID42238824
Molecular FormulaC18H16Cl2N2O2S
Molecular Weight395.31 g/mol
Exact Mass394.03
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H16Cl2N2O2S/c19-12-6-7-15(20)16(9-12)25-11-17(23)21-13-3-1-4-14(10-13)22-8-2-5-18(22)24/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,21,23)
InChIKeyJWZWKGZVUVXBFT-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-fluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 31717118
2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42238821
2-(4-acetamidophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36562536
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904
2-cyclohexylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 134042025
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 92541809
2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41334479
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 35040334
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 37045599
2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 7935234
N'-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 44901688

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 42238824) is 2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(CSc1cc(Cl)ccc1Cl)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is JWZWKGZVUVXBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S/c19-12-6-7-15(20)16(9-12)25-11-17(23)21-13-3-1-4-14(10-13)22-8-2-5-18(22)24/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,21,23).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-[3-(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-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 42238824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).