2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide

C18H19ClN2OS — CID 35358026

IUPAC2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CSc1ccccc1Cl)Nc1ccccc1N1CCCC1
InChIInChI=1S/C18H19ClN2OS/c19-14-7-1-4-10-17(14)23-13-18(22)20-15-8-2-3-9-16(15)21-11-5-6-12-21/h1-4,7-10H,5-6,11-13H2,(H,20,22)
InChIKeyWFQXNPBMLFFGGK-UHFFFAOYSA-N
MW346.88 g/mol
LogP4.67
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 35358026) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID35358026
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CSc1ccccc1Cl)Nc1ccccc1N1CCCC1
InChIInChI=1S/C18H19ClN2OS/c19-14-7-1-4-10-17(14)23-13-18(22)20-15-8-2-3-9-16(15)21-11-5-6-12-21/h1-4,7-10H,5-6,11-13H2,(H,20,22)
InChIKeyWFQXNPBMLFFGGK-UHFFFAOYSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
CID 112789398
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438
2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35357969
N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 30898769
2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492195
2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 2390775
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413
2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7761217
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42238821
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 35358026) is 2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide is O=C(CSc1ccccc1Cl)Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is WFQXNPBMLFFGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c19-14-7-1-4-10-17(14)23-13-18(22)20-15-8-2-3-9-16(15)21-11-5-6-12-21/h1-4,7-10H,5-6,11-13H2,(H,20,22).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 346.88 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 35358026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).