2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide

C17H22N4O4S — CID 19584728

IUPAC2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide
SMILESCCOc1cccc(NC(=O)CC2C(=O)N(CC)C(=S)N2NC(C)=O)c1
InChIInChI=1S/C17H22N4O4S/c1-4-20-16(24)14(21(17(20)26)19-11(3)22)10-15(23)18-12-7-6-8-13(9-12)25-5-2/h6-9,14H,4-5,10H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyADLOYOVTLCOASS-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.28
Rot. Bonds7

About 2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide

2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide (PubChem CID 19584728) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide
PubChem CID19584728
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide
SMILESCCOc1cccc(NC(=O)CC2C(=O)N(CC)C(=S)N2NC(C)=O)c1
InChIInChI=1S/C17H22N4O4S/c1-4-20-16(24)14(21(17(20)26)19-11(3)22)10-15(23)18-12-7-6-8-13(9-12)25-5-2/h6-9,14H,4-5,10H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyADLOYOVTLCOASS-UHFFFAOYSA-N
XLogP1.28
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[3-ethyl-5-[2-(3-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 3343477
N-[5-[2-(3-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 4195389
N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide
CID 5146307
N-[(5S)-3-(4-chlorophenyl)-5-[2-(3-ethoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]pyridine-4-carboxamide
CID 98308067
N-[5-(2-anilino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 2892403
5-bromo-N-[3-(4-chlorophenyl)-5-[2-(3-ethoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide
CID 3571132
5-bromo-N-[5-[2-(3-ethoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide
CID 3305863
N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide
CID 19585940
N-[(5R)-3-ethyl-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 26801968
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide
CID 19585027
ethyl 4-[[2-[(4R)-1-ethyl-5-oxo-3-(pyridine-3-carbonylamino)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 42583384

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide?
The IUPAC name of 2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide (CID 19584728) is 2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide is CCOc1cccc(NC(=O)CC2C(=O)N(CC)C(=S)N2NC(C)=O)c1.
What is the InChIKey of 2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide?
The InChIKey is ADLOYOVTLCOASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-4-20-16(24)14(21(17(20)26)19-11(3)22)10-15(23)18-12-7-6-8-13(9-12)25-5-2/h6-9,14H,4-5,10H2,1-3H3,(H,18,23)(H,19,22).
What are the key properties of 2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide?
2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide has a molecular weight of 378.45 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide is sourced from PubChem (CID 19584728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).