N-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide

C18H19ClN2OS — CID 4879562

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2OS/c19-14-7-9-15(10-8-14)23-17-6-2-1-5-16(17)20-18(22)13-21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22)
InChIKeyJIYXLPJNHKGUDB-UHFFFAOYSA-N
MW346.88 g/mol
LogP4.53
Rot. Bonds5

About N-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 4879562) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide
PubChem CID4879562
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2OS/c19-14-7-9-15(10-8-14)23-17-6-2-1-5-16(17)20-18(22)13-21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22)
InChIKeyJIYXLPJNHKGUDB-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Spiclomazine
CID 65714
2-chloro-N-(2-((4-chlorophenyl)sulfanyl)phenyl)acetamide
CID 2384590
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2482106
1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 44271377
N-(3-(2-Chloro-10H-phenothiazin-10-yl)propyl)acetamide
CID 478592
5-Chloro-3-(2-oxo-2-(1-piperazinyl)ethyl)-2(3H)-benzothiazolone
CID 169502
2-[Cyclohexyl(methyl)amino]-N-[2-(phenylsulfanyl)phenyl]acetamide
CID 4965445
2-[(4-chlorophenyl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
CID 1143134
3-[(4-chlorophenyl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide
CID 1208654
1-[2-[2-(4-Chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidine-4-carboxamide
CID 2399698
N-(4-chloro-2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 2548632
1-(2-chloro-10H-phenothiazin-10-yl)-2-(dimethylamino)ethanone hydrochloride
CID 2938465

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide (CID 4879562) is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is JIYXLPJNHKGUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c19-14-7-9-15(10-8-14)23-17-6-2-1-5-16(17)20-18(22)13-21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 346.88 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 4879562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).