N-cyclopentyl-2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide

C23H25N3O2S — CID 15945479

IUPACN-cyclopentyl-2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C23H25N3O2S/c1-28-19-13-11-16(12-14-19)21-23(26-22(25-21)17-7-3-2-4-8-17)29-15-20(27)24-18-9-5-6-10-18/h2-4,7-8,11-14,18H,5-6,9-10,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyDQNYPQRUQDXZRA-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.90
Rot. Bonds7

About N-cyclopentyl-2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide

N-cyclopentyl-2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide (PubChem CID 15945479) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide
PubChem CID15945479
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-cyclopentyl-2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C23H25N3O2S/c1-28-19-13-11-16(12-14-19)21-23(26-22(25-21)17-7-3-2-4-8-17)29-15-20(27)24-18-9-5-6-10-18/h2-4,7-8,11-14,18H,5-6,9-10,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyDQNYPQRUQDXZRA-UHFFFAOYSA-N
XLogP4.90
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide (CID 15945479) is N-cyclopentyl-2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide is COc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide?
The InChIKey is DQNYPQRUQDXZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-28-19-13-11-16(12-14-19)21-23(26-22(25-21)17-7-3-2-4-8-17)29-15-20(27)24-18-9-5-6-10-18/h2-4,7-8,11-14,18H,5-6,9-10,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-cyclopentyl-2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide has a molecular weight of 407.54 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 15945479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).