N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide

C24H26N4O4S — CID 30239234

IUPACN-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2[C@H]2CCCCNC2=O)cc1
InChIInChI=1S/C24H26N4O4S/c1-32-18-12-10-16(11-13-18)26-21(29)15-20-23(31)27(17-7-3-2-4-8-17)24(33)28(20)19-9-5-6-14-25-22(19)30/h2-4,7-8,10-13,19-20H,5-6,9,14-15H2,1H3,(H,25,30)(H,26,29)/t19-,20-/m0/s1
InChIKeyYVGHTFSLAMSKNA-PMACEKPBSA-N
MW466.56 g/mol
LogP2.69
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide

N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 30239234) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID30239234
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2[C@H]2CCCCNC2=O)cc1
InChIInChI=1S/C24H26N4O4S/c1-32-18-12-10-16(11-13-18)26-21(29)15-20-23(31)27(17-7-3-2-4-8-17)24(33)28(20)19-9-5-6-14-25-22(19)30/h2-4,7-8,10-13,19-20H,5-6,9,14-15H2,1H3,(H,25,30)(H,26,29)/t19-,20-/m0/s1
InChIKeyYVGHTFSLAMSKNA-PMACEKPBSA-N
XLogP2.69
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide 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

2-[(4S)-3-(cyclohexylmethyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 125117891
N-(4-methoxyphenyl)-2-[(4R)-3-[(4-methoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 40807784
N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3140278
2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3750214
N-(4-fluorophenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 1347932
methyl 2-[5-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 2892719
2-(3-cyclohexyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)-N-(1H-indol-6-yl)acetamide
CID 19058113
N-(4-methoxyphenyl)-2-[5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 2951542
2-[(4R)-3-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 29080609
N-(4-chlorophenyl)-2-[(4S)-1-(4-methoxyphenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 28776817
N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3844987
2-(3-cyclopentyl-2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
CID 17118476

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 30239234) is N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide is COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2[C@H]2CCCCNC2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is YVGHTFSLAMSKNA-PMACEKPBSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-32-18-12-10-16(11-13-18)26-21(29)15-20-23(31)27(17-7-3-2-4-8-17)24(33)28(20)19-9-5-6-14-25-22(19)30/h2-4,7-8,10-13,19-20H,5-6,9,14-15H2,1H3,(H,25,30)(H,26,29)/t19-,20-/m0/s1.
What are the key properties of N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 466.56 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 30239234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).