2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide

C16H16N2O2S — CID 8006187

IUPAC2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O2S/c1-2-9-17-16(20)18-15(19)11-21-14-8-7-12-5-3-4-6-13(12)10-14/h2-8,10H,1,9,11H2,(H2,17,18,19,20)
InChIKeyXHAOOKDNOWNURB-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.94
Rot. Bonds5

About 2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide

2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 8006187) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID8006187
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O2S/c1-2-9-17-16(20)18-15(19)11-21-14-8-7-12-5-3-4-6-13(12)10-14/h2-8,10H,1,9,11H2,(H2,17,18,19,20)
InChIKeyXHAOOKDNOWNURB-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylcarbamoyl)-2-naphthalen-2-ylsulfanylacetamide
CID 17431041
2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide
CID 104590202
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 4814186
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 4814204
N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2632326
naphthalen-2-yl N-prop-2-enylcarbamate
CID 71396312
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 7897712
4-bromo-2-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 115381756
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 17407156
2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide
CID 2358893
N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide
CID 120831568

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide (CID 8006187) is 2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is XHAOOKDNOWNURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-9-17-16(20)18-15(19)11-21-14-8-7-12-5-3-4-6-13(12)10-14/h2-8,10H,1,9,11H2,(H2,17,18,19,20).
What are the key properties of 2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide?
2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 300.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanyl-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 8006187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).