N-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide

C18H23N3O3S — CID 7150953

IUPACN-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)NC2CCCC2)c(OC)c1
InChIInChI=1S/C18H23N3O3S/c1-23-14-7-8-15(16(11-14)24-2)21-10-9-19-18(21)25-12-17(22)20-13-5-3-4-6-13/h7-11,13H,3-6,12H2,1-2H3,(H,20,22)
InChIKeyONPMBKPVSXELBP-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.04
Rot. Bonds7

About N-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 7150953) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID7150953
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)NC2CCCC2)c(OC)c1
InChIInChI=1S/C18H23N3O3S/c1-23-14-7-8-15(16(11-14)24-2)21-10-9-19-18(21)25-12-17(22)20-13-5-3-4-6-13/h7-11,13H,3-6,12H2,1-2H3,(H,20,22)
InChIKeyONPMBKPVSXELBP-UHFFFAOYSA-N
XLogP3.04
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 7150953) is N-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide is COc1ccc(-n2ccnc2SCC(=O)NC2CCCC2)c(OC)c1.
What is the InChIKey of N-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is ONPMBKPVSXELBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-23-14-7-8-15(16(11-14)24-2)21-10-9-19-18(21)25-12-17(22)20-13-5-3-4-6-13/h7-11,13H,3-6,12H2,1-2H3,(H,20,22).
What are the key properties of N-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 361.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7150953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).