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

C15H17FN4O3S — CID 19584922

IUPACN-[3-ethyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide
SMILESCCN1C(=O)C(CC(=O)NC)N(NC(=O)c2ccc(F)cc2)C1=S
InChIInChI=1S/C15H17FN4O3S/c1-3-19-14(23)11(8-12(21)17-2)20(15(19)24)18-13(22)9-4-6-10(16)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyOTXXNVYHOQPDES-UHFFFAOYSA-N
MW352.39 g/mol
LogP0.42
Rot. Bonds5

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

N-[3-ethyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide (PubChem CID 19584922) has the molecular formula C15H17FN4O3S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[3-ethyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-ethyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide
PubChem CID19584922
Molecular FormulaC15H17FN4O3S
Molecular Weight352.39 g/mol
Exact Mass352.10
IUPAC NameN-[3-ethyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide
SMILESCCN1C(=O)C(CC(=O)NC)N(NC(=O)c2ccc(F)cc2)C1=S
InChIInChI=1S/C15H17FN4O3S/c1-3-19-14(23)11(8-12(21)17-2)20(15(19)24)18-13(22)9-4-6-10(16)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyOTXXNVYHOQPDES-UHFFFAOYSA-N
XLogP0.42
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.42
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-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide 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-[3-ethyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide
CID 19584953
N-[5-(2-anilino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 2892403
4-bromo-N-[(5S)-3-ethyl-5-[2-(2-fluoroanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 1206399
N-[5-(2-amino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 3293736
N-[(5R)-3-ethyl-5-[2-(2-fluoroanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluorobenzamide
CID 1206400
4-chloro-N-[(5S)-3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 1345897
4-bromo-N-[3-ethyl-5-[2-(3-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 3343477
4-bromo-N-[(5R)-3-ethyl-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 26802105
N-[(5R)-5-[2-(4-chloroanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]pyridine-4-carboxamide
CID 40927258
N-[3-benzyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide
CID 19585948
4-bromo-N-[5-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 3263791
N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 3288284

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide?
The IUPAC name of N-[3-ethyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide (CID 19584922) is N-[3-ethyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-ethyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide?
The canonical SMILES for N-[3-ethyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide is CCN1C(=O)C(CC(=O)NC)N(NC(=O)c2ccc(F)cc2)C1=S.
What is the InChIKey of N-[3-ethyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide?
The InChIKey is OTXXNVYHOQPDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3S/c1-3-19-14(23)11(8-12(21)17-2)20(15(19)24)18-13(22)9-4-6-10(16)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N-[3-ethyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide?
N-[3-ethyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide has a molecular weight of 352.39 g/mol, XLogP of 0.42, 5 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-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide is sourced from PubChem (CID 19584922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).