2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C19H22N2O2S — CID 2335224

IUPAC2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(CSc1ccc2ccccc2c1)NCCCN1CCCC1=O
InChIInChI=1S/C19H22N2O2S/c22-18(20-10-4-12-21-11-3-7-19(21)23)14-24-17-9-8-15-5-1-2-6-16(15)13-17/h1-2,5-6,8-9,13H,3-4,7,10-12,14H2,(H,20,22)
InChIKeyKLXDFDXHGZOSQW-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.06
Rot. Bonds7

About 2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 2335224) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID2335224
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(CSc1ccc2ccccc2c1)NCCCN1CCCC1=O
InChIInChI=1S/C19H22N2O2S/c22-18(20-10-4-12-21-11-3-7-19(21)23)14-24-17-9-8-15-5-1-2-6-16(15)13-17/h1-2,5-6,8-9,13H,3-4,7,10-12,14H2,(H,20,22)
InChIKeyKLXDFDXHGZOSQW-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-(2-naphthylsulfonyl)propanamide
CID 1819930
5-(Naphthalen-2-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione
CID 44280655
(2S)-4-(butylamino)-2-naphthalen-2-ylsulfanyl-4-oxobutanoic acid
CID 137661720
2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 2347935
1-(2-Naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide
CID 2348586
N-ethyl-2-naphthalen-2-ylsulfanylacetamide
CID 2500692
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402809
2-(Naphthalen-2-ylsulfonyl)-1-(pyrrolidin-1-yl)ethanone
CID 851310
2-Naphthyl 3-oxo-3-(1-pyrrolidinyl)propyl sulfone
CID 851318
N-(3-oxo-3-pyrrolidin-1-ylpropyl)naphthalene-2-sulfonamide
CID 17398721
(E)-3-[4-(4-fluorophenyl)sulfanyl-2-(trifluoromethyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 57658487
3-[4-(4-fluorophenyl)sulfanyl-2-(trifluoromethyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 76585383

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 2335224) is 2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is O=C(CSc1ccc2ccccc2c1)NCCCN1CCCC1=O.
What is the InChIKey of 2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is KLXDFDXHGZOSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-18(20-10-4-12-21-11-3-7-19(21)23)14-24-17-9-8-15-5-1-2-6-16(15)13-17/h1-2,5-6,8-9,13H,3-4,7,10-12,14H2,(H,20,22).
What are the key properties of 2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 342.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 2335224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).