2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide

C13H14N4O2S — CID 99782690

IUPAC2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
SMILESCC(=O)NCC(=O)Nc1cccc(-n2cc[nH]c2=S)c1
InChIInChI=1S/C13H14N4O2S/c1-9(18)15-8-12(19)16-10-3-2-4-11(7-10)17-6-5-14-13(17)20/h2-7H,8H2,1H3,(H,14,20)(H,15,18)(H,16,19)
InChIKeyJPDASAIMNKNKGA-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.61
Rot. Bonds4

About 2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide

2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide (PubChem CID 99782690) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
PubChem CID99782690
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
SMILESCC(=O)NCC(=O)Nc1cccc(-n2cc[nH]c2=S)c1
InChIInChI=1S/C13H14N4O2S/c1-9(18)15-8-12(19)16-10-3-2-4-11(7-10)17-6-5-14-13(17)20/h2-7H,8H2,1H3,(H,14,20)(H,15,18)(H,16,19)
InChIKeyJPDASAIMNKNKGA-UHFFFAOYSA-N
XLogP1.61
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(4-tert-butylphenyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]propanamide
CID 25337492
2-(1H-indol-3-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
CID 38781899
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
CID 46411627
3-[(2R,5S)-5-methyloxolan-2-yl]-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]propanamide
CID 99812268
4,5,5-trimethyl-2-oxo-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]furan-3-carboxamide
CID 51101260
methyl 3-(2-sulfanylidene-1H-imidazol-3-yl)benzoate
CID 155977251
N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]-2H-benzotriazole-5-carboxamide
CID 38781994
2-(2-methoxyethoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyridine-3-carboxamide
CID 51124806
2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
CID 46411607
methyl 2-ethyl-4-methyl-5-[[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 46411664
2-benzo[e][1]benzofuran-1-yl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
CID 46582553
4-(diethylsulfamoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide
CID 46411605

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide (CID 99782690) is 2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide is CC(=O)NCC(=O)Nc1cccc(-n2cc[nH]c2=S)c1.
What is the InChIKey of 2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide?
The InChIKey is JPDASAIMNKNKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-9(18)15-8-12(19)16-10-3-2-4-11(7-10)17-6-5-14-13(17)20/h2-7H,8H2,1H3,(H,14,20)(H,15,18)(H,16,19).
What are the key properties of 2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide?
2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide has a molecular weight of 290.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 99782690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).