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

C21H30N4O4S — CID 5146307

IUPACN-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide
SMILESCCCCCC(=O)NN1C(=S)N(CC)C(=O)C1CC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C21H30N4O4S/c1-4-7-8-9-18(26)23-25-17(20(28)24(5-2)21(25)30)14-19(27)22-15-10-12-16(13-11-15)29-6-3/h10-13,17H,4-9,14H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyABUHGCNMSSWDEX-UHFFFAOYSA-N
MW434.56 g/mol
LogP2.84
Rot. Bonds11

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

N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide (PubChem CID 5146307) has the molecular formula C21H30N4O4S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide.

Molecular Properties

Compound NameN-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide
PubChem CID5146307
Molecular FormulaC21H30N4O4S
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC NameN-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide
SMILESCCCCCC(=O)NN1C(=S)N(CC)C(=O)C1CC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C21H30N4O4S/c1-4-7-8-9-18(26)23-25-17(20(28)24(5-2)21(25)30)14-19(27)22-15-10-12-16(13-11-15)29-6-3/h10-13,17H,4-9,14H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyABUHGCNMSSWDEX-UHFFFAOYSA-N
XLogP2.84
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide 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

ethyl 4-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(hexanoylamino)-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 3595227
N-[(5R)-3-ethyl-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 26801968
2-(3-acetamido-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide
CID 19584728
N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3,5-dimethoxybenzamide
CID 19585940
N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide
CID 5093361
N-[5-(2-anilino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 2892403
N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide
CID 19585027
N-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide
CID 41067075
N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide
CID 19584978
2-[(4S)-1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 40783995
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-[(5R)-5-[2-(4-chloroanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]pyridine-4-carboxamide
CID 40927258

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide?
The IUPAC name of N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide (CID 5146307) is N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide.
What is the SMILES notation for N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide?
The canonical SMILES for N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide is CCCCCC(=O)NN1C(=S)N(CC)C(=O)C1CC(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide?
The InChIKey is ABUHGCNMSSWDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S/c1-4-7-8-9-18(26)23-25-17(20(28)24(5-2)21(25)30)14-19(27)22-15-10-12-16(13-11-15)29-6-3/h10-13,17H,4-9,14H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide?
N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide has a molecular weight of 434.56 g/mol, XLogP of 2.84, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide is sourced from PubChem (CID 5146307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).