2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide

C19H18ClN3O3S — CID 55617218

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)Nc1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C19H18ClN3O3S/c20-15-6-4-13(5-7-15)11-27-12-17(24)22-16-3-1-2-14(8-16)10-23-18(25)9-21-19(23)26/h1-8H,9-12H2,(H,21,26)(H,22,24)
InChIKeyZGYMHAAIYDZOAY-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.26
Rot. Bonds7

About 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide (PubChem CID 55617218) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
PubChem CID55617218
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)Nc1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C19H18ClN3O3S/c20-15-6-4-13(5-7-15)11-27-12-17(24)22-16-3-1-2-14(8-16)10-23-18(25)9-21-19(23)26/h1-8H,9-12H2,(H,21,26)(H,22,24)
InChIKeyZGYMHAAIYDZOAY-UHFFFAOYSA-N
XLogP3.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide
CID 33288226
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-(4-propan-2-ylphenyl)propanamide
CID 55853093
3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 47054951
2-[(2-chlorophenyl)methoxy]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 47054953
2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617163
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 119288680
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617224
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 60509721
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
CID 119288678
3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide
CID 71889492
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride
CID 119722221

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide (CID 55617218) is 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide is O=C(CSCc1ccc(Cl)cc1)Nc1cccc(CN2C(=O)CNC2=O)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide?
The InChIKey is ZGYMHAAIYDZOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c20-15-6-4-13(5-7-15)11-27-12-17(24)22-16-3-1-2-14(8-16)10-23-18(25)9-21-19(23)26/h1-8H,9-12H2,(H,21,26)(H,22,24).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 403.89 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 55617218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).