2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide

C20H26FN3OS — CID 17458015

IUPAC2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCc1nc(SCC(=O)NCCc2ccc(F)cc2)n(C2CCCC2)c1C
InChIInChI=1S/C20H26FN3OS/c1-14-15(2)24(18-5-3-4-6-18)20(23-14)26-13-19(25)22-12-11-16-7-9-17(21)10-8-16/h7-10,18H,3-6,11-13H2,1-2H3,(H,22,25)
InChIKeyDQUNJPLXEAZIGP-UHFFFAOYSA-N
MW375.51 g/mol
LogP4.21
Rot. Bonds7

About 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 17458015) has the molecular formula C20H26FN3OS and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID17458015
Molecular FormulaC20H26FN3OS
Molecular Weight375.51 g/mol
Exact Mass375.18
IUPAC Name2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCc1nc(SCC(=O)NCCc2ccc(F)cc2)n(C2CCCC2)c1C
InChIInChI=1S/C20H26FN3OS/c1-14-15(2)24(18-5-3-4-6-18)20(23-14)26-13-19(25)22-12-11-16-7-9-17(21)10-8-16/h7-10,18H,3-6,11-13H2,1-2H3,(H,22,25)
InChIKeyDQUNJPLXEAZIGP-UHFFFAOYSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 40657001
2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 17495105
N-[2-[4-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]phenyl]ethyl]acetamide
CID 55590145
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
4-[[2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 7492618
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 2561583
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 7042763
methyl 4-[(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]benzoate
CID 7492126
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 60545973
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9291207
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 43250430
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 51244829

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 17458015) is 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide is Cc1nc(SCC(=O)NCCc2ccc(F)cc2)n(C2CCCC2)c1C.
What is the InChIKey of 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is DQUNJPLXEAZIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3OS/c1-14-15(2)24(18-5-3-4-6-18)20(23-14)26-13-19(25)22-12-11-16-7-9-17(21)10-8-16/h7-10,18H,3-6,11-13H2,1-2H3,(H,22,25).
What are the key properties of 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 375.51 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 17458015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).