3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide

C21H23N3O3S — CID 154751330

IUPAC3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide
SMILESCC1(c2cccc(C(N)=O)c2)NC(=O)N(CCCSCc2ccccc2)C1=O
InChIInChI=1S/C21H23N3O3S/c1-21(17-10-5-9-16(13-17)18(22)25)19(26)24(20(27)23-21)11-6-12-28-14-15-7-3-2-4-8-15/h2-5,7-10,13H,6,11-12,14H2,1H3,(H2,22,25)(H,23,27)
InChIKeyXZLAUXQUGJIXAW-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.88
Rot. Bonds8

About 3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide

3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide (PubChem CID 154751330) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide
PubChem CID154751330
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide
SMILESCC1(c2cccc(C(N)=O)c2)NC(=O)N(CCCSCc2ccccc2)C1=O
InChIInChI=1S/C21H23N3O3S/c1-21(17-10-5-9-16(13-17)18(22)25)19(26)24(20(27)23-21)11-6-12-28-14-15-7-3-2-4-8-15/h2-5,7-10,13H,6,11-12,14H2,1H3,(H2,22,25)(H,23,27)
InChIKeyXZLAUXQUGJIXAW-UHFFFAOYSA-N
XLogP2.88
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide 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

3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 55631679
4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 17410105
3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 55631250
3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4804422
(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 7178046
N'-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]benzohydrazide
CID 26865674
(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242493
4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55902374
(5S)-5-methyl-3-[(3-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7177858
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
3-(1-benzyl-4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
CID 47092850
2-[3-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione
CID 43028357

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide?
The IUPAC name of 3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide (CID 154751330) is 3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide.
What is the SMILES notation for 3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide?
The canonical SMILES for 3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide is CC1(c2cccc(C(N)=O)c2)NC(=O)N(CCCSCc2ccccc2)C1=O.
What is the InChIKey of 3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide?
The InChIKey is XZLAUXQUGJIXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-21(17-10-5-9-16(13-17)18(22)25)19(26)24(20(27)23-21)11-6-12-28-14-15-7-3-2-4-8-15/h2-5,7-10,13H,6,11-12,14H2,1H3,(H2,22,25)(H,23,27).
What are the key properties of 3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide?
3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide has a molecular weight of 397.50 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide is sourced from PubChem (CID 154751330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).