2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide

C20H22N4OS — CID 4828697

IUPAC2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CSc1nc(-c2ccccc2)cn1N)c1ccccc1
InChIInChI=1S/C20H22N4OS/c1-15(16-8-4-2-5-9-16)12-22-19(25)14-26-20-23-18(13-24(20)21)17-10-6-3-7-11-17/h2-11,13,15H,12,14,21H2,1H3,(H,22,25)
InChIKeyMRZGZOXHBFXSTF-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.28
Rot. Bonds7

About 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide

2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide (PubChem CID 4828697) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide
PubChem CID4828697
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CSc1nc(-c2ccccc2)cn1N)c1ccccc1
InChIInChI=1S/C20H22N4OS/c1-15(16-8-4-2-5-9-16)12-22-19(25)14-26-20-23-18(13-24(20)21)17-10-6-3-7-11-17/h2-11,13,15H,12,14,21H2,1H3,(H,22,25)
InChIKeyMRZGZOXHBFXSTF-UHFFFAOYSA-N
XLogP3.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide
CID 7977632
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide
CID 47015745
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 43038015
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 40709981
2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide
CID 7650208
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 103706138
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 112695519
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 16592251
2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
CID 7580429
2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
CID 9360621
2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7466914

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide (CID 4828697) is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide is CC(CNC(=O)CSc1nc(-c2ccccc2)cn1N)c1ccccc1.
What is the InChIKey of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide?
The InChIKey is MRZGZOXHBFXSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-15(16-8-4-2-5-9-16)12-22-19(25)14-26-20-23-18(13-24(20)21)17-10-6-3-7-11-17/h2-11,13,15H,12,14,21H2,1H3,(H,22,25).
What are the key properties of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide?
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 4828697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).