2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide

C18H17N3OS — CID 16587926

IUPAC2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
SMILESO=C(CSc1nccn1C1CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H17N3OS/c22-17(12-23-18-19-9-10-21(18)16-7-8-16)20-15-6-5-13-3-1-2-4-14(13)11-15/h1-6,9-11,16H,7-8,12H2,(H,20,22)
InChIKeyNYRWMFSTEYWOKU-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.10
Rot. Bonds5

About 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide (PubChem CID 16587926) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
PubChem CID16587926
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
SMILESO=C(CSc1nccn1C1CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H17N3OS/c22-17(12-23-18-19-9-10-21(18)16-7-8-16)20-15-6-5-13-3-1-2-4-14(13)11-15/h1-6,9-11,16H,7-8,12H2,(H,20,22)
InChIKeyNYRWMFSTEYWOKU-UHFFFAOYSA-N
XLogP4.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 17449965
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylacetamide
CID 16581126
N-(4-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 47137410
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 17435516
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 9207134
N-(3-chlorophenyl)-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585466
N-(2-bromophenyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 17440485
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 22585440
2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 22585430
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 17464984
dimethyl 5-[[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate
CID 51308558
2-(1-cyclopentylimidazol-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
CID 27548780

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide (CID 16587926) is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide is O=C(CSc1nccn1C1CC1)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide?
The InChIKey is NYRWMFSTEYWOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-17(12-23-18-19-9-10-21(18)16-7-8-16)20-15-6-5-13-3-1-2-4-14(13)11-15/h1-6,9-11,16H,7-8,12H2,(H,20,22).
What are the key properties of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide?
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide has a molecular weight of 323.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 16587926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).