N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide

C23H26N4O6S — CID 19585940

IUPACN-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2)N(NC(=O)c2cc(OC)cc(OC)c2)C1=S
InChIInChI=1S/C23H26N4O6S/c1-5-26-22(30)19(13-20(28)24-15-6-8-16(31-2)9-7-15)27(23(26)34)25-21(29)14-10-17(32-3)12-18(11-14)33-4/h6-12,19H,5,13H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyVRVGLWAHDJJSSE-UHFFFAOYSA-N
MW486.55 g/mol
LogP2.20
Rot. Bonds9

About N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide

N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide (PubChem CID 19585940) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide
PubChem CID19585940
Molecular FormulaC23H26N4O6S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC NameN-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2)N(NC(=O)c2cc(OC)cc(OC)c2)C1=S
InChIInChI=1S/C23H26N4O6S/c1-5-26-22(30)19(13-20(28)24-15-6-8-16(31-2)9-7-15)27(23(26)34)25-21(29)14-10-17(32-3)12-18(11-14)33-4/h6-12,19H,5,13H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyVRVGLWAHDJJSSE-UHFFFAOYSA-N
XLogP2.20
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide 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-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide
CID 19585027
4-bromo-N-[3-ethyl-5-[2-(3-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 3343477
N-[5-(2-anilino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 2892403
N-[(5R)-3-ethyl-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 26801968
N-[(5R)-5-[2-(4-chloroanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]pyridine-4-carboxamide
CID 40927258
N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide
CID 5146307
4-bromo-N-[5-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 3263791
ethyl 4-[[2-[(4R)-1-ethyl-5-oxo-3-(pyridine-3-carbonylamino)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 42583384
ethyl 4-[(4R)-3-[(3-fluorobenzoyl)amino]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 1046466
2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide
CID 19584728
N-[3-ethyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-fluorobenzamide
CID 19584922

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide (CID 19585940) is N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide is CCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2)N(NC(=O)c2cc(OC)cc(OC)c2)C1=S.
What is the InChIKey of N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide?
The InChIKey is VRVGLWAHDJJSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-5-26-22(30)19(13-20(28)24-15-6-8-16(31-2)9-7-15)27(23(26)34)25-21(29)14-10-17(32-3)12-18(11-14)33-4/h6-12,19H,5,13H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide?
N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide has a molecular weight of 486.55 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 19585940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).