N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C18H22N6OS — CID 91796873

IUPACN-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nccn1CCC(NC(=O)CSc1nncn1C)c1ccccc1
InChIInChI=1S/C18H22N6OS/c1-14-19-9-11-24(14)10-8-16(15-6-4-3-5-7-15)21-17(25)12-26-18-22-20-13-23(18)2/h3-7,9,11,13,16H,8,10,12H2,1-2H3,(H,21,25)
InChIKeyIPEMRAUKRZHISH-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.36
Rot. Bonds8

About N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 91796873) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID91796873
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC NameN-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nccn1CCC(NC(=O)CSc1nncn1C)c1ccccc1
InChIInChI=1S/C18H22N6OS/c1-14-19-9-11-24(14)10-8-16(15-6-4-3-5-7-15)21-17(25)12-26-18-22-20-13-23(18)2/h3-7,9,11,13,16H,8,10,12H2,1-2H3,(H,21,25)
InChIKeyIPEMRAUKRZHISH-UHFFFAOYSA-N
XLogP2.36
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide
CID 154910019
2-(4-methyl-1,4-diazepan-1-yl)-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]acetamide
CID 125160415
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide
CID 119061752
2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 77095447
N-[(1S)-1,2-diphenylethyl]-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 41139158
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 77088444
N-(5-methylhexan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46608691
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-phenylacetamide
CID 3618238
2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)acetamide
CID 78797573
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40529460
(3R)-3-phenyl-3-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanamide
CID 166206922
1-[3-(2-methylimidazol-1-yl)propyl]-3-[(1S)-2-methylsulfanyl-1-phenylethyl]urea
CID 97317498

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 91796873) is N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1nccn1CCC(NC(=O)CSc1nncn1C)c1ccccc1.
What is the InChIKey of N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is IPEMRAUKRZHISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-14-19-9-11-24(14)10-8-16(15-6-4-3-5-7-15)21-17(25)12-26-18-22-20-13-23(18)2/h3-7,9,11,13,16H,8,10,12H2,1-2H3,(H,21,25).
What are the key properties of N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 91796873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).