N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide

C23H27N3O4S — CID 28701912

IUPACN-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2C(C)C)cc1
InChIInChI=1S/C23H27N3O4S/c1-5-30-19-10-6-16(7-11-19)24-21(27)14-20-22(28)26(23(31)25(20)15(2)3)17-8-12-18(29-4)13-9-17/h6-13,15,20H,5,14H2,1-4H3,(H,24,27)/t20-/m1/s1
InChIKeyVKQSAXOHJQICAU-HXUWFJFHSA-N
MW441.55 g/mol
LogP3.83
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide

N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 28701912) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID28701912
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2C(C)C)cc1
InChIInChI=1S/C23H27N3O4S/c1-5-30-19-10-6-16(7-11-19)24-21(27)14-20-22(28)26(23(31)25(20)15(2)3)17-8-12-18(29-4)13-9-17/h6-13,15,20H,5,14H2,1-4H3,(H,24,27)/t20-/m1/s1
InChIKeyVKQSAXOHJQICAU-HXUWFJFHSA-N
XLogP3.83
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]acetamide
CID 92666410
N-(4-ethoxyphenyl)-2-[3-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3998515
2-[(4R)-1-(4-ethoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 98185355
methyl 2-[(5S)-5-[2-(4-bromoanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 27136844
N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 28701853
methyl 2-[5-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 2892719
methyl 2-[(5R)-3-(4-chlorophenyl)-5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 40971357
N-(4-ethoxyphenyl)-2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 1259412
N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774827
N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3844987
N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-[(1-propylpiperidin-4-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 4920105
2-[(4R)-3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 98185359

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 28701912) is N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide is CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2C(C)C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is VKQSAXOHJQICAU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-5-30-19-10-6-16(7-11-19)24-21(27)14-20-22(28)26(23(31)25(20)15(2)3)17-8-12-18(29-4)13-9-17/h6-13,15,20H,5,14H2,1-4H3,(H,24,27)/t20-/m1/s1.
What are the key properties of N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 441.55 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 28701912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).