N-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide

C13H17N3O2S — CID 4751445

IUPACN-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCNC1=S
InChIInChI=1S/C13H17N3O2S/c1-2-18-11-6-4-3-5-10(11)15-12(17)9-16-8-7-14-13(16)19/h3-6H,2,7-9H2,1H3,(H,14,19)(H,15,17)
InChIKeyLQJWQVRXQAJHFQ-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.21
Rot. Bonds5

About N-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide

N-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide (PubChem CID 4751445) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide
PubChem CID4751445
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCNC1=S
InChIInChI=1S/C13H17N3O2S/c1-2-18-11-6-4-3-5-10(11)15-12(17)9-16-8-7-14-13(16)19/h3-6H,2,7-9H2,1H3,(H,14,19)(H,15,17)
InChIKeyLQJWQVRXQAJHFQ-UHFFFAOYSA-N
XLogP1.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
N-(2-ethoxyphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62671745
methyl 2-[(2S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560991
CID 174193763
CID 174193763
(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305506
N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942442
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55864159
2-(2,6-dimethylmorpholin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 6470205
2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24507184
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
ethyl 4-[3-(2-ethoxyanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950350
N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 109017715

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide (CID 4751445) is N-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide is CCOc1ccccc1NC(=O)CN1CCNC1=S.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide?
The InChIKey is LQJWQVRXQAJHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-18-11-6-4-3-5-10(11)15-12(17)9-16-8-7-14-13(16)19/h3-6H,2,7-9H2,1H3,(H,14,19)(H,15,17).
What are the key properties of N-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide?
N-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide has a molecular weight of 279.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(2-sulfanylideneimidazolidin-1-yl)acetamide is sourced from PubChem (CID 4751445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).