2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide

C22H19N3OS — CID 5190525

IUPAC2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C22H19N3OS/c1-16-6-4-9-18(14-16)25-13-12-23-22(25)27-15-21(26)24-20-11-5-8-17-7-2-3-10-19(17)20/h2-14H,15H2,1H3,(H,24,26)
InChIKeyPXPZZDDGNZNQME-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.06
Rot. Bonds5

About 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide

2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 5190525) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID5190525
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C22H19N3OS/c1-16-6-4-9-18(14-16)25-13-12-23-22(25)27-15-21(26)24-20-11-5-8-17-7-2-3-10-19(17)20/h2-14H,15H2,1H3,(H,24,26)
InChIKeyPXPZZDDGNZNQME-UHFFFAOYSA-N
XLogP5.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 935780
N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 866687
N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4186468
N-(3-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4879501
2-((1-(2,5-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamide
CID 7150916
N-(3,5-dimethylphenyl)-2-((1-phenyl-1H-imidazol-2-yl)thio)acetamide
CID 866679
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(1-methyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-ethanone
CID 1169875
2-methylbenzyl 1-phenyl-1H-imidazol-2-yl sulfide
CID 1477494
2-[1-(1-naphthyl)imidazol-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275154
3-Imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide
CID 44547187
1-(3-(1H-imidazol-1-yl)propyl)-3-naphthalen-1-ylthiourea
CID 6539183
N-mesityl-2-[(1-methyl-1H-imidazol-2-yl)thio]acetamide
CID 708564

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide (CID 5190525) is 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide is Cc1cccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is PXPZZDDGNZNQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-16-6-4-9-18(14-16)25-13-12-23-22(25)27-15-21(26)24-20-11-5-8-17-7-2-3-10-19(17)20/h2-14H,15H2,1H3,(H,24,26).
What are the key properties of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 373.48 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 5190525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).