2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide

C24H28N4OS — CID 1440417

IUPAC2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C2CCCC2)cc1
InChIInChI=1S/C24H28N4OS/c1-27(2)20-14-12-19(13-15-20)26-23(29)17-30-24-25-16-22(18-8-4-3-5-9-18)28(24)21-10-6-7-11-21/h3-5,8-9,12-16,21H,6-7,10-11,17H2,1-2H3,(H,26,29)
InChIKeyKEDCXROUIPXPGF-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.46
Rot. Bonds7

About 2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide

2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 1440417) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is 2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID1440417
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C2CCCC2)cc1
InChIInChI=1S/C24H28N4OS/c1-27(2)20-14-12-19(13-15-20)26-23(29)17-30-24-25-16-22(18-8-4-3-5-9-18)28(24)21-10-6-7-11-21/h3-5,8-9,12-16,21H,6-7,10-11,17H2,1-2H3,(H,26,29)
InChIKeyKEDCXROUIPXPGF-UHFFFAOYSA-N
XLogP5.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide
CID 3229830
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 17439573
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 60545973
2-[1-(cyclohexanecarbonyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 3134282
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440839
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 18149503
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 17439146
2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 17437882
2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 1206487
N-(4-acetylphenyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide
CID 1169947
N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 2964221
3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 18149523

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide (CID 1440417) is 2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C2CCCC2)cc1.
What is the InChIKey of 2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is KEDCXROUIPXPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-27(2)20-14-12-19(13-15-20)26-23(29)17-30-24-25-16-22(18-8-4-3-5-9-18)28(24)21-10-6-7-11-21/h3-5,8-9,12-16,21H,6-7,10-11,17H2,1-2H3,(H,26,29).
What are the key properties of 2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide?
2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 420.58 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 1440417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).