2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide

C20H21N3O2S — CID 4855556

IUPAC2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CC(=O)N(Cc2ccccc2)C1=S
InChIInChI=1S/C20H21N3O2S/c1-2-16-10-6-7-11-17(16)21-18(24)13-22-14-19(25)23(20(22)26)12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,21,24)
InChIKeySFZRXIIABOZYOC-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.82
Rot. Bonds6

About 2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide

2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide (PubChem CID 4855556) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide
PubChem CID4855556
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CC(=O)N(Cc2ccccc2)C1=S
InChIInChI=1S/C20H21N3O2S/c1-2-16-10-6-7-11-17(16)21-18(24)13-22-14-19(25)23(20(22)26)12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,21,24)
InChIKeySFZRXIIABOZYOC-UHFFFAOYSA-N
XLogP2.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 4198758
N-(2-ethylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975944
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)acetamide
CID 7404543
2-[4-(1-benzylpiperidine-3-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55987825
2-(benzylamino)-N-(2-ethylphenyl)acetamide
CID 766717
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773116
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-ethylphenyl)acetamide
CID 53031404
(2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide
CID 124990413
N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 119440254
N-benzyl-N'-(2-ethylphenyl)propanediamide
CID 108945270

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide (CID 4855556) is 2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1CC(=O)N(Cc2ccccc2)C1=S.
What is the InChIKey of 2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide?
The InChIKey is SFZRXIIABOZYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-2-16-10-6-7-11-17(16)21-18(24)13-22-14-19(25)23(20(22)26)12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,21,24).
What are the key properties of 2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide?
2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 4855556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).