N-cyclopentyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

C17H21N3OS — CID 7150883

IUPACN-cyclopentyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1ccnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C17H21N3OS/c1-13-6-2-5-9-15(13)20-11-10-18-17(20)22-12-16(21)19-14-7-3-4-8-14/h2,5-6,9-11,14H,3-4,7-8,12H2,1H3,(H,19,21)
InChIKeyZODWWYMWVHWZJN-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.33
Rot. Bonds5

About N-cyclopentyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-cyclopentyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 7150883) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID7150883
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-cyclopentyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1ccnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C17H21N3OS/c1-13-6-2-5-9-15(13)20-11-10-18-17(20)22-12-16(21)19-14-7-3-4-8-14/h2,5-6,9-11,14H,3-4,7-8,12H2,1H3,(H,19,21)
InChIKeyZODWWYMWVHWZJN-UHFFFAOYSA-N
XLogP3.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 7150883) is N-cyclopentyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1ccccc1-n1ccnc1SCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is ZODWWYMWVHWZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-6-2-5-9-15(13)20-11-10-18-17(20)22-12-16(21)19-14-7-3-4-8-14/h2,5-6,9-11,14H,3-4,7-8,12H2,1H3,(H,19,21).
What are the key properties of N-cyclopentyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-cyclopentyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 315.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7150883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).