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

C19H16N4OS — CID 38781899

IUPAC2-(1H-indol-3-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1cccc(-n2cc[nH]c2=S)c1
InChIInChI=1S/C19H16N4OS/c24-18(10-13-12-21-17-7-2-1-6-16(13)17)22-14-4-3-5-15(11-14)23-9-8-20-19(23)25/h1-9,11-12,21H,10H2,(H,20,25)(H,22,24)
InChIKeyXCHITWHXUSYUFZ-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.20
Rot. Bonds4

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

2-(1H-indol-3-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide (PubChem CID 38781899) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
PubChem CID38781899
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name2-(1H-indol-3-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1cccc(-n2cc[nH]c2=S)c1
InChIInChI=1S/C19H16N4OS/c24-18(10-13-12-21-17-7-2-1-6-16(13)17)22-14-4-3-5-15(11-14)23-9-8-20-19(23)25/h1-9,11-12,21H,10H2,(H,20,25)(H,22,24)
InChIKeyXCHITWHXUSYUFZ-UHFFFAOYSA-N
XLogP4.20
TPSA65.61 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
CID 46582553
2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 38160633
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792
2-(1H-indol-3-yl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 38738127
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
CID 46411627
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
N-(9-ethylcarbazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 2466222
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009
N-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 46400273
2-(1H-indol-3-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140853
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
N-(2,3-dimethylquinoxalin-6-yl)-2-(1H-indol-3-yl)acetamide
CID 110743801

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide (CID 38781899) is 2-(1H-indol-3-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1cccc(-n2cc[nH]c2=S)c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide?
The InChIKey is XCHITWHXUSYUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-18(10-13-12-21-17-7-2-1-6-16(13)17)22-14-4-3-5-15(11-14)23-9-8-20-19(23)25/h1-9,11-12,21H,10H2,(H,20,25)(H,22,24).
What are the key properties of 2-(1H-indol-3-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide?
2-(1H-indol-3-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide has a molecular weight of 348.43 g/mol, XLogP of 4.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 38781899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).