N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide

C24H27N3O2S — CID 15990540

IUPACN-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
SMILESCOc1cccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccc(C)cc3)[nH]2)c1
InChIInChI=1S/C24H27N3O2S/c1-16-10-12-17(13-11-16)22-24(30-15-21(28)25-19-7-3-4-8-19)27-23(26-22)18-6-5-9-20(14-18)29-2/h5-6,9-14,19H,3-4,7-8,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyPFPPEYUFQAZMJY-UHFFFAOYSA-N
MW421.57 g/mol
LogP5.21
Rot. Bonds7

About N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide

N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide (PubChem CID 15990540) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
PubChem CID15990540
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC NameN-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
SMILESCOc1cccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccc(C)cc3)[nH]2)c1
InChIInChI=1S/C24H27N3O2S/c1-16-10-12-17(13-11-16)22-24(30-15-21(28)25-19-7-3-4-8-19)27-23(26-22)18-6-5-9-20(14-18)29-2/h5-6,9-14,19H,3-4,7-8,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyPFPPEYUFQAZMJY-UHFFFAOYSA-N
XLogP5.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide (CID 15990540) is N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide is COc1cccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccc(C)cc3)[nH]2)c1.
What is the InChIKey of N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
The InChIKey is PFPPEYUFQAZMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-16-10-12-17(13-11-16)22-24(30-15-21(28)25-19-7-3-4-8-19)27-23(26-22)18-6-5-9-20(14-18)29-2/h5-6,9-14,19H,3-4,7-8,15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide has a molecular weight of 421.57 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 15990540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).