N-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide

C23H25ClN4O3S — CID 41067075

IUPACN-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide
SMILESCCCCCC(=O)NN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C23H25ClN4O3S/c1-2-3-5-10-20(29)26-28-19(15-21(30)25-17-8-6-4-7-9-17)22(31)27(23(28)32)18-13-11-16(24)12-14-18/h4,6-9,11-14,19H,2-3,5,10,15H2,1H3,(H,25,30)(H,26,29)/t19-/m1/s1
InChIKeyGOWWGYDDTXHGGZ-LJQANCHMSA-N
MW473.00 g/mol
LogP4.28
Rot. Bonds9

About N-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide

N-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide (PubChem CID 41067075) has the molecular formula C23H25ClN4O3S and a molecular weight of 473.00 g/mol. Its IUPAC name is N-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide.

Molecular Properties

Compound NameN-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide
PubChem CID41067075
Molecular FormulaC23H25ClN4O3S
Molecular Weight473.00 g/mol
Exact Mass472.13
IUPAC NameN-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide
SMILESCCCCCC(=O)NN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C23H25ClN4O3S/c1-2-3-5-10-20(29)26-28-19(15-21(30)25-17-8-6-4-7-9-17)22(31)27(23(28)32)18-13-11-16(24)12-14-18/h4,6-9,11-14,19H,2-3,5,10,15H2,1H3,(H,25,30)(H,26,29)/t19-/m1/s1
InChIKeyGOWWGYDDTXHGGZ-LJQANCHMSA-N
XLogP4.28
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.00
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-[1-(4-chlorophenyl)-3-heptyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 4246344
4-chloro-N-[4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 4116473
ethyl 4-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(hexanoylamino)-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 3595227
2-[(4S)-3-[(2-acetamidoacetyl)amino]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(3-chlorophenyl)acetamide
CID 25305618
methyl 4-[[2-[3-[(4-chlorobenzoyl)amino]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 4518808
4-chloro-N-[3-(4-chlorophenyl)-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 4577828
2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide
CID 7456206
2-[3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 4202324
4-chloro-N-[5-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 4224283
2-[3-benzyl-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 3681133
methyl 4-[[2-[(4R)-3-benzyl-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 40948593
N-[3-(4-chlorophenyl)-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide
CID 4027935

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide?
The IUPAC name of N-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide (CID 41067075) is N-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide.
What is the SMILES notation for N-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide?
The canonical SMILES for N-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide is CCCCCC(=O)NN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1.
What is the InChIKey of N-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide?
The InChIKey is GOWWGYDDTXHGGZ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25ClN4O3S/c1-2-3-5-10-20(29)26-28-19(15-21(30)25-17-8-6-4-7-9-17)22(31)27(23(28)32)18-13-11-16(24)12-14-18/h4,6-9,11-14,19H,2-3,5,10,15H2,1H3,(H,25,30)(H,26,29)/t19-/m1/s1.
What are the key properties of N-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide?
N-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide has a molecular weight of 473.00 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-(2-anilino-2-oxoethyl)-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide is sourced from PubChem (CID 41067075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).