2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide

C15H18N4O3S2 — CID 2998891

IUPAC2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESNn1cc(-c2ccccc2)nc1SCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N4O3S2/c16-19-8-13(11-4-2-1-3-5-11)18-15(19)23-9-14(20)17-12-6-7-24(21,22)10-12/h1-5,8,12H,6-7,9-10,16H2,(H,17,20)
InChIKeyNYSKASZAKMQNCD-UHFFFAOYSA-N
MW366.47 g/mol
LogP0.66
Rot. Bonds5

About 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide

2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 2998891) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID2998891
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESNn1cc(-c2ccccc2)nc1SCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N4O3S2/c16-19-8-13(11-4-2-1-3-5-11)18-15(19)23-9-14(20)17-12-6-7-24(21,22)10-12/h1-5,8,12H,6-7,9-10,16H2,(H,17,20)
InChIKeyNYSKASZAKMQNCD-UHFFFAOYSA-N
XLogP0.66
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide
CID 2324952
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2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-benzhydryl-N-methylacetamide
CID 3493951
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 4450475
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
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2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
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CID 4883629
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 24979318
2-(1-Amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
CID 5217717
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide (CID 2998891) is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide is Nn1cc(-c2ccccc2)nc1SCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is NYSKASZAKMQNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c16-19-8-13(11-4-2-1-3-5-11)18-15(19)23-9-14(20)17-12-6-7-24(21,22)10-12/h1-5,8,12H,6-7,9-10,16H2,(H,17,20).
What are the key properties of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 366.47 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 2998891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).