N-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide

C16H20N4O3S — CID 4264650

IUPACN-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
SMILESCCNC(=O)CC1C(=O)N(CC)C(=S)N1NC(=O)c1ccccc1
InChIInChI=1S/C16H20N4O3S/c1-3-17-13(21)10-12-15(23)19(4-2)16(24)20(12)18-14(22)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyWVBSBPLCPZKZMN-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.68
Rot. Bonds6

About N-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide

N-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide (PubChem CID 4264650) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
PubChem CID4264650
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
SMILESCCNC(=O)CC1C(=O)N(CC)C(=S)N1NC(=O)c1ccccc1
InChIInChI=1S/C16H20N4O3S/c1-3-17-13(21)10-12-15(23)19(4-2)16(24)20(12)18-14(22)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyWVBSBPLCPZKZMN-UHFFFAOYSA-N
XLogP0.68
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide?
The IUPAC name of N-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide (CID 4264650) is N-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide.
What is the SMILES notation for N-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide?
The canonical SMILES for N-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide is CCNC(=O)CC1C(=O)N(CC)C(=S)N1NC(=O)c1ccccc1.
What is the InChIKey of N-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide?
The InChIKey is WVBSBPLCPZKZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-3-17-13(21)10-12-15(23)19(4-2)16(24)20(12)18-14(22)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide?
N-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide has a molecular weight of 348.43 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide is sourced from PubChem (CID 4264650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).