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

C20H24N4O2S — CID 19058349

IUPAC2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
SMILESCC(C)(C)N1C(=S)N(C2CC2)C(=O)C1CC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C20H24N4O2S/c1-20(2,3)24-16(18(26)23(19(24)27)14-6-7-14)11-17(25)22-13-5-4-12-8-9-21-15(12)10-13/h4-5,8-10,14,16,21H,6-7,11H2,1-3H3,(H,22,25)
InChIKeyBCCZPGKRSQAXQZ-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.26
Rot. Bonds4

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

2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide (PubChem CID 19058349) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
PubChem CID19058349
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
SMILESCC(C)(C)N1C(=S)N(C2CC2)C(=O)C1CC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C20H24N4O2S/c1-20(2,3)24-16(18(26)23(19(24)27)14-6-7-14)11-17(25)22-13-5-4-12-8-9-21-15(12)10-13/h4-5,8-10,14,16,21H,6-7,11H2,1-3H3,(H,22,25)
InChIKeyBCCZPGKRSQAXQZ-UHFFFAOYSA-N
XLogP3.26
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-tert-butyl-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
CID 19058194
2-(1-cyclopropyl-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
CID 19058336
2-[1-cyclopropyl-3-(3-ethoxypropyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 19058337
2-[3-cyclopentyl-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 19058236
2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
CID 19058113
2-[3-(3-ethoxypropyl)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 19058182
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)-2-[1-(2-methoxyphenyl)-5-oxo-3-(1-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 19058278
2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 91637557
N-(1H-indol-6-yl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531649
methyl 4-(1H-indol-6-ylamino)-4-oxobutanoate
CID 110730795

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide?
The IUPAC name of 2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide (CID 19058349) is 2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide.
What is the SMILES notation for 2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide?
The canonical SMILES for 2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide is CC(C)(C)N1C(=S)N(C2CC2)C(=O)C1CC(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide?
The InChIKey is BCCZPGKRSQAXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-20(2,3)24-16(18(26)23(19(24)27)14-6-7-14)11-17(25)22-13-5-4-12-8-9-21-15(12)10-13/h4-5,8-10,14,16,21H,6-7,11H2,1-3H3,(H,22,25).
What are the key properties of 2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide?
2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide has a molecular weight of 384.51 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-cyclopropyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide is sourced from PubChem (CID 19058349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).