N-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide

C20H18N2O3S — CID 24636355

IUPACN-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESCC(NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12
InChIInChI=1S/C20H18N2O3S/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)21-20(23)13-26-17-11-9-16(10-12-17)22(24)25/h2-12,14H,13H2,1H3,(H,21,23)
InChIKeyDUEHXQLVJPYEIS-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.72
Rot. Bonds6

About N-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide

N-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 24636355) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID24636355
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESCC(NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12
InChIInChI=1S/C20H18N2O3S/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)21-20(23)13-26-17-11-9-16(10-12-17)22(24)25/h2-12,14H,13H2,1H3,(H,21,23)
InChIKeyDUEHXQLVJPYEIS-UHFFFAOYSA-N
XLogP4.72
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 9232383
2-(4-nitrophenyl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 8892304
2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9397574
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
(2S,3R)-3-hydroxy-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]butanoic acid
CID 104964356
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8587779
2-(4-nitrophenyl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 46813464
N-(1-naphthalen-1-ylethyl)-4-nitrobenzenesulfonamide
CID 55353964
2-(1-methylimidazol-2-yl)sulfanyl-N-(1-naphthalen-1-ylethyl)acetamide
CID 46665664
N-(1-naphthalen-1-ylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 42897579
N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 83031881

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide (CID 24636355) is N-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide is CC(NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is DUEHXQLVJPYEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)21-20(23)13-26-17-11-9-16(10-12-17)22(24)25/h2-12,14H,13H2,1H3,(H,21,23).
What are the key properties of N-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide?
N-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 366.44 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 24636355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).