2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide

C20H18ClNOS — CID 2337968

IUPAC2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CSc1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C20H18ClNOS/c1-2-22(18-12-7-9-15-8-3-4-10-16(15)18)20(23)14-24-19-13-6-5-11-17(19)21/h3-13H,2,14H2,1H3
InChIKeyJEMNEHNELKMOEU-UHFFFAOYSA-N
MW355.89 g/mol
LogP5.64
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide

2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide (PubChem CID 2337968) has the molecular formula C20H18ClNOS and a molecular weight of 355.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide
PubChem CID2337968
Molecular FormulaC20H18ClNOS
Molecular Weight355.89 g/mol
Exact Mass355.08
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CSc1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C20H18ClNOS/c1-2-22(18-12-7-9-15-8-3-4-10-16(15)18)20(23)14-24-19-13-6-5-11-17(19)21/h3-13H,2,14H2,1H3
InChIKeyJEMNEHNELKMOEU-UHFFFAOYSA-N
XLogP5.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.89
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]sulfanylacetate
CID 78760483
N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 31280414
(2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide
CID 2529538
2-[[4-(4-chlorophenyl)-5-[(1S)-1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide
CID 40935688
N-ethyl-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 2423267
N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 27987793
4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide
CID 103154156
2-[[4-benzyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide
CID 2670303
methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]acetate
CID 54979578
2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652550
2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide
CID 78784198
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide
CID 17457533

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide (CID 2337968) is 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide is CCN(C(=O)CSc1ccccc1Cl)c1cccc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide?
The InChIKey is JEMNEHNELKMOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNOS/c1-2-22(18-12-7-9-15-8-3-4-10-16(15)18)20(23)14-24-19-13-6-5-11-17(19)21/h3-13H,2,14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide?
2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide has a molecular weight of 355.89 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 2337968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).