2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide

C19H20N4O2S — CID 19058336

IUPAC2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
SMILESC=CCN1C(=S)N(C2CC2)C(=O)C1CC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C19H20N4O2S/c1-2-9-22-16(18(25)23(19(22)26)14-5-6-14)11-17(24)21-13-4-3-12-7-8-20-15(12)10-13/h2-4,7-8,10,14,16,20H,1,5-6,9,11H2,(H,21,24)
InChIKeyYPZCMUOHXUYNLQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.64
Rot. Bonds6

About 2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide

2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide (PubChem CID 19058336) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
PubChem CID19058336
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
SMILESC=CCN1C(=S)N(C2CC2)C(=O)C1CC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C19H20N4O2S/c1-2-9-22-16(18(25)23(19(22)26)14-5-6-14)11-17(24)21-13-4-3-12-7-8-20-15(12)10-13/h2-4,7-8,10,14,16,20H,1,5-6,9,11H2,(H,21,24)
InChIKeyYPZCMUOHXUYNLQ-UHFFFAOYSA-N
XLogP2.64
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 19058337
2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
CID 19058349
2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 19058182
2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
CID 19058113
2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 19058236
2-(3-tert-butyl-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
CID 19058194
2-[3-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 19058200
N-(1H-indol-6-yl)-2-[1-(4-methylphenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 19058249
N-(1H-indol-6-yl)prop-2-enamide
CID 125475014
2-[(4R)-5-oxo-1-phenyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 7613748
N-(3-chlorophenyl)-2-[1-cyclopropyl-3-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 4140238
2-[(4R)-1-(4-ethoxyphenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 29080629

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide?
The IUPAC name of 2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide (CID 19058336) is 2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide?
The canonical SMILES for 2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide is C=CCN1C(=S)N(C2CC2)C(=O)C1CC(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide?
The InChIKey is YPZCMUOHXUYNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-9-22-16(18(25)23(19(22)26)14-5-6-14)11-17(24)21-13-4-3-12-7-8-20-15(12)10-13/h2-4,7-8,10,14,16,20H,1,5-6,9,11H2,(H,21,24).
What are the key properties of 2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide?
2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide has a molecular weight of 368.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide is sourced from PubChem (CID 19058336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).