N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide

C25H33N3OS — CID 7250816

IUPACN-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCc1[nH]c(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)nc1Cc1ccccc1
InChIInChI=1S/C25H33N3OS/c1-16-22(11-18-6-4-3-5-7-18)28-24(26-16)30-15-23(29)27-17(2)25-12-19-8-20(13-25)10-21(9-19)14-25/h3-7,17,19-21H,8-15H2,1-2H3,(H,26,28)(H,27,29)/t17-,19?,20?,21?,25?/m0/s1
InChIKeyRNVBDCBUUFJEAY-GXSYWRQXSA-N
MW423.63 g/mol
LogP5.12
Rot. Bonds7

About N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 7250816) has the molecular formula C25H33N3OS and a molecular weight of 423.63 g/mol. Its IUPAC name is N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID7250816
Molecular FormulaC25H33N3OS
Molecular Weight423.63 g/mol
Exact Mass423.23
IUPAC NameN-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCc1[nH]c(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)nc1Cc1ccccc1
InChIInChI=1S/C25H33N3OS/c1-16-22(11-18-6-4-3-5-7-18)28-24(26-16)30-15-23(29)27-17(2)25-12-19-8-20(13-25)10-21(9-19)14-25/h3-7,17,19-21H,8-15H2,1-2H3,(H,26,28)(H,27,29)/t17-,19?,20?,21?,25?/m0/s1
InChIKeyRNVBDCBUUFJEAY-GXSYWRQXSA-N
XLogP5.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.63
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide
CID 42982161
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
CID 7250949
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 40524672
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6472561
N-(4-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 17017890
N-[1-(1-adamantyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 4991617
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 17404499
N-[(1R)-1-(1-adamantyl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 7464685
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 28594540
N-[(1S)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7558331
N-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7558332
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7250950

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 7250816) is N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide is Cc1[nH]c(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)nc1Cc1ccccc1.
What is the InChIKey of N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is RNVBDCBUUFJEAY-GXSYWRQXSA-N. The full InChI is InChI=1S/C25H33N3OS/c1-16-22(11-18-6-4-3-5-7-18)28-24(26-16)30-15-23(29)27-17(2)25-12-19-8-20(13-25)10-21(9-19)14-25/h3-7,17,19-21H,8-15H2,1-2H3,(H,26,28)(H,27,29)/t17-,19?,20?,21?,25?/m0/s1.
What are the key properties of N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 423.63 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7250816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).