N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide

C14H15NOS — CID 87319954

IUPACN-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide
SMILESO=C(CS)NCCc1ccc2ccccc2c1
InChIInChI=1S/C14H15NOS/c16-14(10-17)15-8-7-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9,17H,7-8,10H2,(H,15,16)
InChIKeyUMKIMBFWCFETMV-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.43
Rot. Bonds4

About N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide

N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide (PubChem CID 87319954) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide
PubChem CID87319954
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC NameN-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide
SMILESO=C(CS)NCCc1ccc2ccccc2c1
InChIInChI=1S/C14H15NOS/c16-14(10-17)15-8-7-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9,17H,7-8,10H2,(H,15,16)
InChIKeyUMKIMBFWCFETMV-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide
CID 19963458
7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride
CID 119732863
N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide
CID 141064187
2-amino-N-(2-naphthalen-2-ylethyl)propanamide
CID 115152538
(E)-4-(2-naphthalen-2-ylethylamino)-4-oxobut-2-enoic acid
CID 115177298
4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 120589267
N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide
CID 141064188
N-(2-bromoethyl)-2-naphthalen-2-ylacetamide
CID 43133408
2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2-phenylethyl)acetamide
CID 9261639
3-(2-naphthalen-2-ylethylamino)propanoic acid
CID 115218333

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide?
The IUPAC name of N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide (CID 87319954) is N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide?
The canonical SMILES for N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide is O=C(CS)NCCc1ccc2ccccc2c1.
What is the InChIKey of N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide?
The InChIKey is UMKIMBFWCFETMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c16-14(10-17)15-8-7-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9,17H,7-8,10H2,(H,15,16).
What are the key properties of N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide?
N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide has a molecular weight of 245.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-2-ylethyl)-2-sulfanylacetamide is sourced from PubChem (CID 87319954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).